SCHEMBL5119232

SCHEMBL5119232

Cc1cccn2c(NCc3ccc(Cl)cc3)c(-c3ccc(C#Cc4ccccc4)s3)nc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.48
POLB P06746 2/20 0.48
GAA P10253 8/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PLAU P00749 1/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H4 Q96RI1 5/20 0.39
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5121120 0.90 MAPT (0.45) TP53POLBGAAMAPTSMN1; SMN2
SCHEMBL5128091 0.85 NR1H4 (0.53) POLBGAAMAPTSMN1; SMN2PLAU
SCHEMBL5123825 0.84 MAPT (0.43) TP53POLBGAAMAPTSMN1; SMN2
SCHEMBL5121581 0.80 GAA (0.52) TP53POLBGAAMAPTSMN1; SMN2
SCHEMBL5128541 0.80 GAA (0.46) TP53POLBGAAMAPTSMN1; SMN2
SCHEMBL5123589 0.78 NR1H4 (0.42) TP53GAAMAPTSMN1; SMN2KDM4E
SCHEMBL5116591 0.78 GAA (0.49) TP53POLBGAAMAPTSMN1; SMN2
SCHEMBL5127654 0.76 NR1H4 (0.51) TP53POLBGAAMAPTSMN1; SMN2
SCHEMBL5127028 0.75 GAA (0.56) TP53POLBGAAMAPTSMN1; SMN2
SCHEMBL5116745 0.74 NR1H4 (0.43) TP53POLBGAAMAPTSMN1; SMN2

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 TP53 2432/4885POLB 2896/4885GAA 234/4885

“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.