SCHEMBL143265

SCHEMBL143265

CN1CCN(C(=O)c2ccc3cc(-c4cc5ccccc5[nH]c4=O)[nH]c3c2)CC1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.88
CDK5 Q00535 1/20 0.57
CDK5R1 Q15078 1/20 0.57
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
HRH4 Q9H3N8 4/20 0.56
CHEK1 O14757 1/20 0.55
PDGFRB P09619 1/20 0.51
FGFR1 P11362 1/20 0.51
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
RIPK1 Q13546 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL5078878 0.94 KDR (1.00) KDRCDK5CDK5R1HPGDTSHR
SCHEMBL143966 0.82 KDR (0.70) KDRHRH4CHEK1
SCHEMBL5076073 0.82 KDR (1.00) KDRHRH4CHEK1RIPK1
SCHEMBL5078739 0.82 KDR (0.78) KDRHPGDCHEK1
SCHEMBL6912138 0.79 KDR (0.89) KDRCHEK1NPC1RAB9A
SCHEMBL6333156 0.79 KDR (0.70) KDRHPGDCHEK1PDGFRBFGFR1
SCHEMBL19126992 0.77 KDR (0.62) KDRCDK5CDK5R1HPGDTSHR
SCHEMBL14590416 0.77 KDR (0.88) KDRTSHRCHEK1
SCHEMBL148223 0.77 KDR (0.85) KDRCHEK1
SCHEMBL5076120 0.76 KDR (0.80) KDRCHEK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US claimed
US-6927293-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-08-09 US claimed
US-20040235826-A1 Tyrosine kinase ihnibitors MERCK SHARP & DOHME CORP. 2004-11-25 US claimed
US-20040192725-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-09-30 US claimed
WO-2003020699-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 WO claimed
WO-2003020276-A1 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-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
US-6927293-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-08-09 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
US-20040192725-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-09-30 US disclosed
WO-2003020276-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 WO 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 (4 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 1/4885CDK5 306/4885CDK5R1 521/4885
US-20040192725-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CDK5 92/4885CDK5R1 277/4885
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 KDR 1077/4885CDK5 1744/4885CDK5R1 1738/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 KDR 1077/4885CDK5 1744/4885CDK5R1 1738/4885

“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.