SCHEMBL5112959

SCHEMBL5112959

C(#Cc1csc(-c2nc3cnccn3c2NCCc2ccccc2)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.50
PLAU P00749 1/20 0.45
NR1H4 Q96RI1 5/20 0.43
SALL4 Q9UJQ4 4/20 0.43
TRIM33 Q9UPN9 2/20 0.42
BRD4 O60885 1/20 0.40
BRAF P15056 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.37
MAPK1 P28482 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
SCHEMBL5116610 0.90 SALL4 (0.50) CDK9PLAUNR1H4SALL4TRIM33
SCHEMBL5122237 0.89 CDK9 (0.45) CDK9PLAUNR1H4SALL4TRIM33
SCHEMBL5113389 0.88 BRD4 (0.48) CDK9NR1H4SALL4BRD4NPC1
SCHEMBL5125126 0.85 NR1H4 (0.47) CDK9PLAUNR1H4TRIM33BRD4
SCHEMBL5127725 0.82 CDK9 (0.43) CDK9SALL4BRD4ALDH1A1MAPT
SCHEMBL5113455 0.82 SALL4 (0.50) CDK9SALL4BRD4BRAFALDH1A1
SCHEMBL5128122 0.79 NR1H4 (0.42) PLAUNR1H4NPC1ALDH1A1MAPT
SCHEMBL5112885 0.79 BRD4 (0.51) CDK9NR1H4BRD4BRAFALDH1A1
SCHEMBL5120684 0.79 GAA (0.53) SALL4TRIM33NPC1ALDH1A1MAPT
SCHEMBL5125219 0.79 GAA (0.40) CDK9SALL4BRD4BRAFALDH1A1

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 5 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

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 CDK9 1013/4885PLAU 3063/4885NR1H4 2683/4885

“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.