SCHEMBL5122878

SCHEMBL5122878

O=C(Nc1c(-c2ccc(C#Cc3ccccc3)s2)nc2cnccn12)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GABRD O14764 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRA4 P48169 2/20 0.42
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
SYK P43405 1/20 0.39
BRAF P15056 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
CDK9 P50750 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 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
SCHEMBL5114305 0.90 KDM4E (0.40) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL5121920 0.89 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL5127799 0.87 SALL4 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL5121533 0.85 CDK9 (0.43) MAPTHSD17B10KMT2AMEN1SYK
SCHEMBL5113507 0.84 GAA (0.43) MAPTHSD17B10KMT2AMEN1BRAF
SCHEMBL5119935 0.83 GAA (0.53) MAPTHSD17B10KMT2AMEN1SYK
SCHEMBL5115034 0.82 GAA (0.47) MAPTHSD17B10KMT2AMEN1KDM4E
SCHEMBL5118754 0.82 CDK9 (0.45) MAPTHSD17B10KMT2AMEN1BRAF
SCHEMBL5127402 0.82 SALL4 (0.50) MAPTHSD17B10KMT2AMEN1BRAF
SCHEMBL5129559 0.82 BRD4 (0.45) MAPTHSD17B10KMT2AMEN1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US disclosed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP disclosed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 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 (1 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS CYP1A2 250/4885CYP3A4 24/4885CYP2C9 63/4885

“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.