SCHEMBL1326997

SCHEMBL1326997

CC(C)Nc1cnc2c(n1)OCCN(C(=O)O)C2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.35
HCAR3 P49019 1/20 0.35
HSP90AA1 P07900 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL2783200 0.84 VNN1 (0.37)
SCHEMBL2784105 0.81 VNN1 (0.35)
SCHEMBL2783201 0.80 CKS1B (0.33)
SCHEMBL2784108 0.75 CKS1B (0.37)
SCHEMBL9290582 0.70
Hydrochloric Acid SCHEMBL1326989 0.69
SCHEMBL2781837 0.69
SCHEMBL2110457 0.69 HCAR3 (0.41) HCAR3
SCHEMBL12497152 0.67 MAPK1 (0.68) MAPK1
SCHEMBL2112115 0.65 ESR2 (0.43) MAPK1

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 11 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
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 MAPK1 1602/4885HCAR3 604/4885HSP90AA1 3339/4885
US-20100317651-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A MAPK1 1247/4885HCAR3 420/4885HSP90AA1 2899/4885
US-20110288291-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A MAPK1 1247/4885HCAR3 420/4885HSP90AA1 2899/4885
US-20110282054-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A MAPK1 1247/4885HCAR3 420/4885HSP90AA1 2899/4885

“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.