SCHEMBL148271

SCHEMBL148271

O=C(c1ccc2[nH]c(-c3n[nH]c4cc(Cl)ccc34)cc2c1)N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.59
HRH4 Q9H3N8 2/20 0.53
KDR P35968 1/20 0.52
CDK7 P50613 4/20 0.47
MAP2K4 P45985 2/20 0.47
FLT3 P36888 2/20 0.46
PTGS2 P35354 1/20 0.43
ENPP2 Q13822 1/20 0.42
ATXN2 Q99700 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL145923 0.87 KDR (0.62) CHEK1HRH4KDRCDK7MAP2K4
SCHEMBL5636946 0.84 KDR (0.55) CHEK1KDRCDK7MAP2K4FLT3
SCHEMBL144764 0.82 MAP2K4 (0.65) CHEK1CDK7MAP2K4
SCHEMBL5638192 0.82 HRH4 (0.56) CHEK1HRH4KDRMAP2K4MAPK8
SCHEMBL5662556 0.79 CHEK1 (0.57) CHEK1CDK7MAP2K4
SCHEMBL5638048 0.79 CHEK1 (0.60) CHEK1KDRCDK7MAP2K4
SCHEMBL144396 0.79 MAP2K4 (0.68) CHEK1KDRCDK7MAP2K4
SCHEMBL144479 0.76 KDR (0.63) CHEK1HRH4KDRFLT3MAPK10
SCHEMBL150384 0.74 CHEK1 (1.00) CHEK1CDK7
SCHEMBL147483 0.74 CHEK1 (0.82) CHEK1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 US claimed
US-20050070546-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2005-03-31 US claimed
WO-2003024969-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 WO claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
US-20050070546-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
WO-2003024969-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 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 (3 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 CHEK1 3154/4885HRH4 4055/4885KDR 1077/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CHEK1 499/4885HRH4 4015/4885KDR 5/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 CHEK1 3154/4885HRH4 4055/4885KDR 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.