SCHEMBL1877650

SCHEMBL1877650

Nc1nc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c2cc(Cl)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
HSP90AB1 P08238 1/20 0.49
MCHR1 Q99705 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL1882463 0.96 NPC1 (0.54) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1878675 0.94 LMNA (0.58) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1879361 0.94 HSP90AB1 (0.60) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1883977 0.93 SMN1; SMN2 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1881448 0.93 KCNK3 (0.54) MEN1KMT2ALMNAHSP90AB1NPC1
SCHEMBL1875756 0.92 PPARG (0.53) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1875253 0.92 PDE4A (0.58) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1879769 0.90 MEN1 (0.51) MEN1KMT2ALMNATP53HSP90AB1
SCHEMBL1875206 0.89 KCNK3 (0.56) MEN1KMT2ALMNATP53HSP90AB1
SCHEMBL1883271 0.88 MEN1 (0.57) MEN1KMT2ACYP2C9LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947696-B2 heat shock proteins inhibition, regulation and/or modulation; tumour diseases, viral diseases, for immune suppression in transplants, inflammation-induced diseases, cystic fibrosis, diseases associated with angiogenesis, infectious diseases, autoimmune diseases, ischaemia, fibrogenetic diseases MERCK PATENT GMBH (DE) 2011-05-24 US claimed
US-20080214586-A1 2-Amino-4-Phenylquinazoline Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2008-09-04 US claimed
EP-1881965-A1 2-AMINO-4-PHENYLQUINAZOLINE DERIVATES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2008-01-30 EP claimed
WO-2006122631-A1 2-AMINO-4-PHENYLQUINAZOLINE DERIVATES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-11-23 WO claimed
US-7947696-B2 heat shock proteins inhibition, regulation and/or modulation; tumour diseases, viral diseases, for immune suppression in transplants, inflammation-induced diseases, cystic fibrosis, diseases associated with angiogenesis, infectious diseases, autoimmune diseases, ischaemia, fibrogenetic diseases MERCK PATENT GMBH (DE) 2011-05-24 US disclosed
US-20080214586-A1 2-Amino-4-Phenylquinazoline Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2008-09-04 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-20080214586-A1 2-Amino-4-Phenylquinazoline Derivatives and the Use Thereof as Hsp90 Modulators HSP90AB2P, HSP90AB1, HSP90AA1 MEN1 4729/4885KMT2A 2946/4885CYP1A2 1077/4885

“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.