SCHEMBL144414

SCHEMBL144414

CNC(=O)N1CCN(CCc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.61
CHEK1 O14757 11/20 0.55
HRH4 Q9H3N8 1/20 0.48

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
SCHEMBL7252783 0.87 KDR (0.62) KDRCHEK1
SCHEMBL144056 0.86 CHEK1 (0.58) KDRCHEK1
SCHEMBL145457 0.85 KDR (0.66) KDRCHEK1
SCHEMBL146796 0.83 KDR (0.60) KDRCHEK1
SCHEMBL148591 0.83 CHEK1 (0.55) KDRCHEK1
SCHEMBL145791 0.83 CHEK1 (0.67) KDRCHEK1
SCHEMBL5082040 0.82 KDR (0.67) KDRCHEK1HRH4
SCHEMBL5076112 0.81 CHEK1 (0.71) KDRCHEK1
SCHEMBL143420 0.80 CHEK1 (0.54) KDRCHEK1
SCHEMBL5076105 0.79 CHEK1 (0.65) KDRCHEK1

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-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US claimed
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

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 955/4885HRH4 2363/4885
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 KDR 1077/4885CHEK1 3154/4885HRH4 4055/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 KDR 1077/4885CHEK1 3154/4885HRH4 4055/4885

“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.