SCHEMBL140728

SCHEMBL140728

CN(C(=O)c1cccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc12)C1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.50
SLC6A4 P31645 7/20 0.46
SLC6A2 P23975 6/20 0.46
KCNH2 Q12809 2/20 0.46
CHEK1 O14757 2/20 0.46
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL143284 0.84 KDR (0.65) KDRSLC6A4SLC6A2KCNH2CHEK1
SCHEMBL147257 0.84 KDR (0.58) KDRSLC6A4SLC6A2KCNH2CHEK1
SCHEMBL5354528 0.80 KDR (0.50) KDRSLC6A4SLC6A2CHEK1
SCHEMBL6273794 0.79 KDR (0.72) KDRCHEK1
SCHEMBL5361067 0.75 KDR (0.49) KDRSLC6A4SLC6A2CHEK1
SCHEMBL5354782 0.73 KDR (0.65) KDRSLC6A4SLC6A2KCNH2CHEK1
SCHEMBL5370412 0.73 SLC6A2 (0.62) KDRSLC6A4SLC6A2KCNH2CHEK1
SCHEMBL145297 0.71 HTR2C (0.56) KDRKCNH2CHEK1KDM4EHSD17B10
SCHEMBL143966 0.71 KDR (0.70) KDRCHEK1
SCHEMBL34468805 0.70 KDM4E (0.55) KDM4ELMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2003020276-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 WO 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-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
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 1/4885SLC6A4 4367/4885SLC6A2 4609/4885
US-20040192725-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885SLC6A4 4618/4885SLC6A2 4709/4885
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 KDR 1077/4885SLC6A4 4772/4885SLC6A2 4641/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 KDR 1077/4885SLC6A4 4772/4885SLC6A2 4641/4885

“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.