SCHEMBL144022

SCHEMBL144022

CN(Cc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)CC1CCC(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.51
KDR P35968 13/20 0.48
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL5079461 0.82 KDR (0.52) CHEK1KDR
SCHEMBL7252769 0.80 PDCD1 (0.40) KDRPDCD1CD274
SCHEMBL5079326 0.77 CHEK1 (0.54) CHEK1KDR
SCHEMBL14012835 0.77 CHEK1 (0.56) CHEK1KDR
SCHEMBL5078784 0.75 ALDH1A1 (0.58) CHEK1KDR
SCHEMBL148399 0.73 KDR (0.62) CHEK1KDR
SCHEMBL5081965 0.72 CHEK1 (0.49) CHEK1KDR
SCHEMBL5076160 0.72 CHEK1 (0.59) CHEK1KDR
SCHEMBL7252783 0.71 KDR (0.62) CHEK1KDR
SCHEMBL5081972 0.71 CHEK1 (0.69) CHEK1KDR

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 8 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
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
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 CHEK1 955/4885KDR 1/4885PDCD1 2286/4885
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 CHEK1 3154/4885KDR 1077/4885PDCD1 1240/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 CHEK1 3154/4885KDR 1077/4885PDCD1 1240/4885

“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.