SCHEMBL1326372

SCHEMBL1326372

CC(C)Sc1cnc2c(n1)OCCN(Cc1ccccc1)C2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 1/20 0.35
PTGER2 P43116 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
C5AR1 P21730 1/20 0.34
FAAH O00519 1/20 0.33
CLPP Q16740 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2890616 0.82 CYP1A2 (0.39) MEN1KMT2APTGER2NPC1RAB9A
SCHEMBL1325920 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2125480 0.80 BRS3 (0.39) MEN1KMT2AALDH1A1PTGER2NPC1
SCHEMBL1327168 0.80 GRM5 (0.39) MEN1KMT2AALDH1A1PTGER2NPC1
SCHEMBL1326422 0.80 ALDH1A1 (0.43) MEN1KMT2AALDH1A1PTGER2NPC1
SCHEMBL1327054 0.80 PTGER2 (0.36) MEN1KMT2AALDH1A1PTGER2NPC1
SCHEMBL13935061 0.78 CXCR4 (0.34) MEN1KMT2AALDH1A1PTGER2NPC1
SCHEMBL1327033 0.77 PTGER2 (0.35) MEN1KMT2AALDH1A1PTGER2NPC1
SCHEMBL1325988 0.77 DRD4 (0.37) ALDH1A1PTGER2NPC1RAB9AC5AR1
SCHEMBL1325785 0.77 NPC1 (0.39) MEN1KMT2AALDH1A1PTGER2NPC1

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 9 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
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
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 MEN1 2820/4885KMT2A 1801/4885ALDH1A1 1312/4885
US-20100317651-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A MEN1 3507/4885KMT2A 1750/4885ALDH1A1 2564/4885
US-20110288291-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A MEN1 3507/4885KMT2A 1750/4885ALDH1A1 2564/4885
US-20110282054-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A MEN1 3507/4885KMT2A 1750/4885ALDH1A1 2564/4885

“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.