SCHEMBL139863

SCHEMBL139863

CN(C)CCNC(=O)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.59
HTR2C P28335 1/20 0.57
CHEK1 O14757 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALOX5 P09917 1/20 0.46
PARP1 P09874 1/20 0.45
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
TOP2A P11388 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL142898 0.94 HTR2C (0.57) KDRHTR2CCHEK1KDM4EALDH1A1
SCHEMBL148568 0.88 KDR (0.61) KDRHTR2CCHEK1KDM4EALDH1A1
SCHEMBL14559496 0.86 KDR (0.62) KDRCHEK1KDM4EHSD17B10PARP1
SCHEMBL5551798 0.86 KDR (0.62) KDRCHEK1KDM4EHSD17B10PARP1
SCHEMBL5429151 0.84 KDR (0.53) KDRHTR2CCHEK1KDM4EALDH1A1
SCHEMBL145297 0.83 HTR2C (0.56) KDRHTR2CCHEK1KDM4EALDH1A1
SCHEMBL5082009 0.79 KDR (0.68) KDRCHEK1
SCHEMBL145917 0.78 KDR (0.56) KDRCHEK1ALDH1A1
SCHEMBL5354824 0.78 KDR (0.56) KDRHTR2CCHEK1ALDH1A1LMNA
SCHEMBL5078673 0.78 KDR (0.70) KDRCHEK1KDM4EHPGDHSD17B10

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-20040235826-A1 Tyrosine kinase ihnibitors MERCK SHARP & DOHME CORP. 2004-11-25 US claimed
WO-2003020699-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 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-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
US-20040235826-A1 Tyrosine kinase ihnibitors MERCK SHARP & DOHME CORP. 2004-11-25 US disclosed
WO-2003020699-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 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-20040235826-A1 Tyrosine kinase ihnibitors KDR, FLT4, ERBB2 KDR 1/4885HTR2C 3686/4885CHEK1 955/4885
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 KDR 1077/4885HTR2C 4715/4885CHEK1 3154/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 KDR 1077/4885HTR2C 4715/4885CHEK1 3154/4885

“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.