SCHEMBL1879769

SCHEMBL1879769

Nc1nc(-c2cccc(NC(=O)c3cccc(F)c3)c2)c2cc(Cl)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KCNK3 O14649 3/20 0.51
ADORA2A P29274 1/20 0.49
LMNA P02545 3/20 0.48
TP53 P04637 2/20 0.48
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
POLB P06746 1/20 0.47
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
KCNQ5 Q9NR82 1/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL1881448 0.93 KCNK3 (0.54) MEN1KMT2AKCNK3LMNANPC1
SCHEMBL1878675 0.92 LMNA (0.58) MEN1KMT2AKCNK3ADORA2ALMNA
SCHEMBL1882463 0.92 NPC1 (0.54) MEN1KMT2AKCNK3LMNATP53
SCHEMBL1877650 0.90 MEN1 (0.53) MEN1KMT2AKCNK3LMNATP53
SCHEMBL1875206 0.89 KCNK3 (0.56) MEN1KMT2AKCNK3LMNATP53
SCHEMBL1877416 0.89 LCK (0.58) MEN1KMT2AKCNK3LMNATP53
SCHEMBL1883977 0.87 SMN1; SMN2 (0.57) MEN1KMT2AKCNK3LMNATP53
SCHEMBL1883271 0.86 MEN1 (0.57) MEN1KMT2AKCNK3LMNATP53
SCHEMBL1875756 0.86 PPARG (0.53) MEN1KMT2ALMNATP53NPC1
SCHEMBL1879361 0.86 HSP90AB1 (0.60) MEN1KMT2AKCNK3LMNATP53

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 11 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
CN-101180278-A 2-amino-4-phenylquinazoline derivates and their use as HSP90 modulators MERCK PATENT GMBH (DE) 2008-05-14 CN 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
CN-101180278-B 2-amino-4-phenylquinazoline derivates and their use as HSP90 modulators MERCK PATENT GMBH 2011-05-04 CN 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
CN-101180278-A 2-amino-4-phenylquinazoline derivates and their use as HSP90 modulators MERCK PATENT GMBH (DE) 2008-05-14 CN disclosed
EP-1881965-A1 2-AMINO-4-PHENYLQUINAZOLINE DERIVATES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2008-01-30 EP disclosed
WO-2006122631-A1 2-AMINO-4-PHENYLQUINAZOLINE DERIVATES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-11-23 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-20080214586-A1 2-Amino-4-Phenylquinazoline Derivatives and the Use Thereof as Hsp90 Modulators HSP90AB2P, HSP90AB1, HSP90AA1 MEN1 4729/4885KMT2A 2946/4885KCNK3 3089/4885

“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.