SCHEMBL6178074

SCHEMBL6178074

CC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 1.00
TBK1 Q9UHD2 2/20 0.47
NTRK1 P04629 1/20 0.47
CHEK1 O14757 1/20 0.47

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
SCHEMBL6179134 0.91 KDR (1.00) KDRTBK1
SCHEMBL5742011 0.91 KDR (1.00) KDRTBK1
SCHEMBL6177027 0.90 KDR (1.00) KDRTBK1CHEK1
SCHEMBL6179016 0.90 KDR (1.00) KDRTBK1
SCHEMBL7237182 0.89 KDR (0.84) KDRTBK1CHEK1
SCHEMBL6897451 0.87 KDR (0.93) KDRTBK1
SCHEMBL5743045 0.86 KDR (0.75) KDRNTRK1
SCHEMBL6337878 0.85 KDR (0.73) KDRTBK1
SCHEMBL6177500 0.85 KDR (0.77) KDRCHEK1
SCHEMBL5745318 0.84 KDR (0.76) KDRTBK1

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 15 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 claimed
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 claimed
US-20030064996-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2003-04-03 US claimed
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 EP claimed
US-20020147203-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2002-10-10 US claimed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP claimed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 WO claimed
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 5/4885TBK1 145/4885NTRK1 507/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885TBK1 145/4885NTRK1 507/4885

“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.