SCHEMBL1326639

SCHEMBL1326639

Clc1cncc(NCC2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 7/20 0.43
▸ CDK2 P24941 1/20 0.42
▸ HRH1 P35367 6/20 0.41
▸ DRD2 P14416 5/20 0.41
▸ HTR2A P28223 5/20 0.41
▸ PIM2 Q9P1W9 4/20 0.38
▸ PIM1 P11309 3/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ PIM3 Q86V86 2/20 0.37
▸ KDR P35968 1/20 0.36

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
SCHEMBL1192676 0.89 CCNT1 (0.55) CCNT1PIM2PIM1KDR
SCHEMBL3366294 0.83 HRH1 (0.45) CCNT1CDK2HRH1DRD2HTR2A
SCHEMBL12501667 0.81 CCNT1 (0.44) CCNT1KDR
SCHEMBL28884717 0.79 PDE10A (0.39) CCNT1PIM2PIM1PTGER4PIM3
SCHEMBL29933884 0.79 PDE10A (0.39) CCNT1PIM2PIM1PTGER4PIM3
SCHEMBL23501704 0.77 PDE10A (0.38) CCNT1PIM2PIM1PTGER4PIM3
SCHEMBL6658816 0.77 IRAK4 (0.43) CCNT1
SCHEMBL6659258 0.77 HRH1 (0.50) CDK2HRH1DRD2HTR2AKDR
SCHEMBL16333975 0.75 IDH1 (0.43) CCNT1PIM2PIM1
SCHEMBL6221844 0.72 P2RX7 (0.43) CCNT1PTGER4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115139-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 — — US disclosed
EP-2442870-B1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-04-16 — — EP disclosed
US-8324201-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 — — US disclosed
US-8318722-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 — — US disclosed
US-8314088-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-20 — — US disclosed
US-20120135979-A1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-31 — — US disclosed
CN-102458579-A Pyrazinoazeza derivatives TAKEDA PHARMACEUTICAL 2012-05-16 — — CN disclosed
EP-2442870-A1 PYRAZINOOXAZEPINE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-04-25 — — EP disclosed
US-20110288291-A1 PYRAZINOOXAZEPINE DERIVATIVES SASAKI SHIGEKAZU (JP) 2011-11-24 — — US disclosed
US-20110282054-A1 PYRAZINOOXAZEPINE DERIVATIVES SASAKI SHIGEKAZU (JP) 2011-11-17 — — US disclosed
WO-2010147226-A1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 — — WO disclosed
US-20100317651-A1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-12-16 — — 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 (4 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-20120135979-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR5A, HTR2C, HTR2A CCNT1 3605/4885CDK2 1871/4885HRH1 1388/4885
US-20100317651-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A CCNT1 3309/4885CDK2 1006/4885HRH1 463/4885
US-20110288291-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A CCNT1 3309/4885CDK2 1006/4885HRH1 463/4885
US-20110282054-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A CCNT1 3309/4885CDK2 1006/4885HRH1 463/4885

“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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