SCHEMBL6181222

SCHEMBL6181222

N#Cc1cnc(Nc2cccc(CO)n2)s1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.59
CCNK O75909 1/20 0.49
DDB1 Q16531 1/20 0.49
CDK12 Q9NYV4 1/20 0.49
HSD11B1 P28845 1/20 0.44
GRM4 Q14833 1/20 0.43

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
SCHEMBL6179530 0.87 KDR (0.59) KDR
SCHEMBL7237808 0.85 KDR (0.56) KDRCCNKDDB1CDK12
SCHEMBL7227402 0.80 KDR (0.63) KDRCCNKDDB1CDK12
SCHEMBL6180700 0.77 KDR (0.65) KDRCCNKDDB1CDK12
SCHEMBL6180867 0.77 KDR (0.68) KDR
SCHEMBL7237192 0.76 KDR (0.59) KDRHSD11B1GRM4
SCHEMBL5743358 0.76 KDR (0.48) KDR
SCHEMBL7235459 0.76 KDR (0.55) KDR
SCHEMBL6179910 0.75 KDR (1.00) KDR
SCHEMBL5742236 0.74 KDR (0.64) KDR

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
EP-1218376-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-09 EP disclosed
US-6586424-B2 Anticancer agents; anticholesterol agents MERCK & CO., INC. 2003-07-01 US disclosed
US-6586423-B2 2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile derivatives; angiogenesis inhibitors; antitumor and anticarcinogenic agents; atherosclerosis, macular degeneration, diabetic retinopathy MERCK & CO., INC. 2003-07-01 US disclosed
US-20030064996-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2003-04-03 US disclosed
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 EP disclosed
US-20020147203-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2002-10-10 US disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 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 (2 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-20020147203-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CCNK 309/4885DDB1 1000/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CCNK 309/4885DDB1 1000/4885

“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.