SCHEMBL6180656

SCHEMBL6180656

CC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2C)CC1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.83
NTRK1 P04629 1/20 0.45
RORC P51449 3/20 0.38
DHODH Q02127 3/20 0.38
CHEK1 O14757 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 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
SCHEMBL5743511 0.91 KDR (1.00) KDRNTRK1RORCDHODH
SCHEMBL6179215 0.90 KDR (0.68) KDRNTRK1MEN1KMT2AATM
SCHEMBL5744001 0.85 KDR (0.77) KDRRORCDHODH
SCHEMBL6178074 0.80 KDR (1.00) KDRNTRK1CHEK1
SCHEMBL5741877 0.78 KDR (0.61) KDR
SCHEMBL6330948 0.76 KDR (0.68) KDRNTRK1MEN1KMT2AATM
SCHEMBL6337878 0.76 KDR (0.73) KDRRORCMEN1KMT2AATM
SCHEMBL6180867 0.76 KDR (0.68) KDRNTRK1
SCHEMBL5744213 0.76 KDR (0.58) KDR
SCHEMBL5743045 0.76 KDR (0.75) KDRNTRK1

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 7 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
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 (1 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-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885NTRK1 507/4885RORC 1164/4885

“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.