SCHEMBL12086293

SCHEMBL12086293

CC(C)C(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.50
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ ACP3 P15309 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KIF11 P52732 5/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ ORAI3 Q9BRQ5 1/20 0.38
▸ TRPV6 Q9H1D0 1/20 0.38
▸ MGLL Q99685 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13328621 1.00 PDE2A (0.50) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL26299730 0.81 PDE2A (0.50) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL25502574 0.81 PDE2A (0.50) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL84043 0.80 PDE2A (0.53) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL19772099 0.79 PDE2A (0.48) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL19772091 0.79 PDE2A (0.48) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL16230724 0.79 PDE2A (0.48) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL23586964 0.79 PDE2A (0.49) PDE2ACES2CES1ALDH1A1
SCHEMBL22604445 0.79 PDE2A (0.49) PDE2ACES2CES1ALDH1A1
SCHEMBL7438101 0.78 PDE2A (0.52) PDE2ACES2CES1ALDH1A1ACP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 — — US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 — — US disclosed
US-20230061608-A1 SUBSTITUTED QUINOLINONYL PIPERAZINE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-03-02 — — US disclosed
US-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators SYNGENE INTERNATIONAL LIMITED (IN) 2023-02-21 — — US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 — — US disclosed
US-20220153764-A1 FLOW BATTERY AND COMPONENTS THEREOF UNIVERSITY OF MASSACHUSETTS 2022-05-19 — — US disclosed
US-20220017541-A1 INHIBITORS OF ARGINASE Praxis Biotech LLC 2022-01-20 — — US disclosed
WO-2021133751-A1 SUBSTITUTED QUINAZOLINYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 — — WO disclosed
EP-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 — — EP disclosed
US-20210139479-A1 COMT Inhibiting Methods and Compositions LIEBER INST INC (US) 2021-05-13 — — US disclosed
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 — — US disclosed
US-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 — — US disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 — — US disclosed
CN-100584823-C Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO 2010-01-27 — — CN disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 — — US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 — — US disclosed
CN-100376549-C Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2008-03-26 — — CN disclosed
CN-101033200-A Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2007-09-12 — — CN disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 — — US disclosed
CN-1639114-A Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2005-07-13 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators DGKZ, DGKA, DGKG PDE2A 1693/4885CES2 4254/4885CES1 3187/4885
US-20220153764-A1 FLOW BATTERY AND COMPONENTS THEREOF SLC39A14, ABCB7, CLPX PDE2A 4012/4885CES2 2585/4885CES1 4842/4885
US-20220017541-A1 INHIBITORS OF ARGINASE ARG1, ARG2, ARGLU1 PDE2A 409/4885CES2 1278/4885CES1 75/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PDE2A 3597/4885CES2 4691/4885CES1 4251/4885
US-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM4 PDE2A 333/4885CES2 2260/4885CES1 1576/4885
US-20230061608-A1 SUBSTITUTED QUINOLINONYL PIPERAZINE COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG PDE2A 1246/4885CES2 3784/4885CES1 3426/4885
US-20210139479-A1 COMT Inhibiting Methods and Compositions COMT, PNMT, HNMT PDE2A 546/4885CES2 84/4885CES1 302/4885
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PDE2A 3597/4885CES2 4691/4885CES1 4251/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 PDE2A 3427/4885CES2 4661/4885CES1 3631/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 PDE2A 3597/4885CES2 4691/4885CES1 4251/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PDE2A 3597/4885CES2 4691/4885CES1 4251/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PDE2A 3597/4885CES2 4691/4885CES1 4251/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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