SCHEMBL148223

SCHEMBL148223

NC1CN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.85
CHEK1 O14757 4/20 0.55
MGLL Q99685 1/20 0.46
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
HPN P05981 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 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
SCHEMBL14012857 0.92 KDR (1.00) KDRCHEK1MGLL
SCHEMBL6912138 0.90 KDR (0.89) KDRCHEK1MGLL
Trifluoroacetic Acid SCHEMBL5078746 0.86 KDR (0.88) KDRCHEK1MGLL
SCHEMBL5076120 0.85 KDR (0.80) KDRCHEK1MGLL
SCHEMBL5076073 0.84 KDR (1.00) KDRCHEK1MGLL
Trifluoroacetic Acid SCHEMBL5076148 0.84 KDR (0.78) KDRCHEK1MGLL
SCHEMBL5078878 0.83 KDR (1.00) KDRCHEK1MGLL
SCHEMBL5078739 0.80 KDR (0.78) KDRCHEK1MGLL
SCHEMBL5078673 0.79 KDR (0.70) KDRCHEK1
Trifluoroacetic Acid SCHEMBL5082484 0.78 KDR (0.87) KDRCHEK1MGLL

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
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-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-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 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 1/4885CHEK1 955/4885MGLL 2089/4885
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 KDR 1077/4885CHEK1 3154/4885MGLL 430/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 KDR 1077/4885CHEK1 3154/4885MGLL 430/4885

“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.