SCHEMBL12201672

SCHEMBL12201672

CC(C)[C@H](C)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
AOC3 Q16853 2/20 0.42
ACHE P22303 1/20 0.41
TRPA1 O75762 1/20 0.40
MME P08473 1/20 0.39
CYP19A1 P11511 1/20 0.38
DAO P14920 1/20 0.37
HTT P42858 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL10157190 1.00 IDO1 (0.42) IDO1TDO2AOC3ACHETRPA1
SCHEMBL10159881 1.00 IDO1 (0.42) IDO1TDO2AOC3ACHETRPA1
SCHEMBL13804088 0.93 CYP17A1 (0.44) IDO1TDO2AOC3ACHETRPA1
SCHEMBL19262099 0.84 AOC3 (0.39) IDO1TDO2AOC3ACHETRPA1
SCHEMBL15087367 0.79 AOC3 (0.44) IDO1TDO2AOC3ACHETRPA1
SCHEMBL17086654 0.79 AOC3 (0.44) IDO1TDO2AOC3ACHETRPA1
SCHEMBL17086639 0.79 AOC3 (0.44) IDO1TDO2AOC3ACHETRPA1
SCHEMBL17086688 0.79 AOC3 (0.44) IDO1TDO2AOC3ACHETRPA1
SCHEMBL10157213 0.78 IDO1 (0.42) IDO1TDO2AOC3ACHETRPA1
SCHEMBL7267227 0.77 IDO1 (0.43) IDO1TDO2AOC3ACHEMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
WO-2023165262-A1 THIENO-NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海科技大学 2023-09-07 WO disclosed
WO-2023165263-A1 PYRROLOTRIAZINONE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海科技大学 2023-09-07 WO disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2023-08-10 US disclosed
US-20230143502-A1 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF TEON THERAPEUTICS, INC 2023-05-11 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-9023865-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-8268998-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-7982033-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-7982033-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-20110117081-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS AEGERA THERAPEUTICS, INC. (CA) 2011-05-19 US disclosed
US-20110117081-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS AEGERA THERAPEUTICS, INC. (CA) 2011-05-19 US disclosed
US-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US 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 (9 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-20230143502-A1 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF CNR2, CNR1, GPR18 IDO1 2071/4885TDO2 2113/4885AOC3 3494/4885
US-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 IDO1 2239/4885TDO2 1035/4885AOC3 2802/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP IDO1 952/4885TDO2 1732/4885AOC3 4369/4885
US-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 IDO1 352/4885TDO2 1899/4885AOC3 1592/4885
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 IDO1 1967/4885TDO2 790/4885AOC3 336/4885
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 IDO1 2239/4885TDO2 1035/4885AOC3 2802/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP IDO1 952/4885TDO2 1732/4885AOC3 4369/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E IDO1 3829/4885TDO2 4200/4885AOC3 2389/4885
US-20110117081-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS BIRC5, BIRC7, BIRC2 IDO1 410/4885TDO2 4315/4885AOC3 3067/4885

“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.