Sugi Predict

Sugi Predict / Compounds / SCHEMBL61338

SCHEMBL61338

SCHEMBL61338

Cc1nccn1-c1c[c]ccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.57
▸ CYP2E1 P05181 1/20 0.57
▸ CYP2A6 P11509 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2D6 P10635 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ADH5 P11766 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ICMT O60725 3/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ PDE3B Q13370 2/20 0.37
▸ PDE3A Q14432 2/20 0.37
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 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
SCHEMBL27968890 0.80 KDR (0.40) CYP3A4CYP2E1CYP2A6ALDH1A1GAA
SCHEMBL196349 0.78 ALDH1A1 (0.56) CYP3A4CYP2E1CYP2A6ALDH1A1CYP2D6
SCHEMBL2336960 0.77 CYP3A4 (0.69) CYP3A4CYP2E1CYP2A6ALDH1A1CYP2D6
SCHEMBL11929770 0.76 CYP3A4 (0.67) CYP3A4CYP2E1CYP2A6ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL27290504 0.76 CYP3A4 (0.67) CYP3A4CYP2E1CYP2A6ALDH1A1CYP2D6
Ammonia Solution, Strong SCHEMBL28378980 0.76 CYP3A4 (0.67) CYP3A4CYP2E1CYP2A6ALDH1A1CYP2D6
SCHEMBL30558759 0.75 ALDH1A1 (0.71) CYP3A4CYP2E1CYP2A6ALDH1A1CYP2D6
SCHEMBL3609259 0.73 CYP2A6 (1.00) CYP3A4CYP2E1CYP2A6ALDH1A1CYP2D6
SCHEMBL17166601 0.71 CYP3A4 (0.61) CYP3A4CYP2E1CYP2A6ALDH1A1CYP2D6
SCHEMBL28323466 0.71 CYP3A4 (0.59) CYP3A4CYP2E1CYP2A6ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50050-E1 Pyrimidinedione compounds MyoKardia, Inc. (US) 2024-07-23 — — US claimed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 — — US claimed
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2020-09-24 — — US claimed
EP-3010910-B1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MYOKARDIA INC (US) 2020-02-05 — — EP claimed
US-20180311242-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2018-11-01 — — US claimed
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2017-10-05 — — US claimed
US-9585883-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2017-03-07 — — US claimed
EP-3010910-A1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS Myokardia, Inc. (US) 2016-04-27 — — EP claimed
EP-2985281-A2 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2016-02-17 — — EP claimed
US-9181200-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2015-11-10 — — US claimed
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2014-12-25 — — US claimed
WO-2014205223-A1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2014-12-24 — — WO claimed
US-20130045976-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION (US) 2013-02-21 — — US claimed
EP-2358697-A1 Isoindoline compounds for use in the treatment of cancer CELGENE CORPORATION (US) 2011-08-24 — — EP claimed
WO-2010053732-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORPORATION (US) 2010-05-14 — — WO claimed
US-RE50050-E1 Pyrimidinedione compounds MyoKardia, Inc. (US) 2024-07-23 — — US disclosed
CN-109384729-B Pyrimidinedione compounds for cardiac disorders 迈奥卡迪亚公司 2023-06-30 — — CN disclosed
EP-2358697-A1 Isoindoline compounds for use in the treatment of cancer CELGENE CORPORATION (US) 2011-08-24 — — EP disclosed
US-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2010-08-12 — — US disclosed
WO-2010053732-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORPORATION (US) 2010-05-14 — — WO 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 (7 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-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 CYP3A4 102/4885CYP2E1 50/4885CYP2A6 598/4885
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2E1 3966/4885CYP2A6 2814/4885
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2E1 3966/4885CYP2A6 2814/4885
US-20130045976-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 CYP3A4 102/4885CYP2E1 50/4885CYP2A6 598/4885
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2E1 3966/4885CYP2A6 2814/4885
US-20180311242-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2E1 3966/4885CYP2A6 2814/4885
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2E1 3966/4885CYP2A6 2814/4885

“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.