SCHEMBL5889112

SCHEMBL5889112

CC(C)NC(=O)CN1CCN(c2cc(Nc3ncc(C#N)s3)ncn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.69
KIT P10721 5/20 0.53
FLT3 P36888 2/20 0.51

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
SCHEMBL5889195 0.90 KDR (0.72) KDRKIT
SCHEMBL5889024 0.88 KDR (0.54) KDRKITFLT3
SCHEMBL5889049 0.88 KDR (0.73) KDRKIT
SCHEMBL5889238 0.87 KDR (0.68) KDRKIT
SCHEMBL5889040 0.87 KIT (0.54) KDRKITFLT3
SCHEMBL5889028 0.87 KDR (0.71) KDRKIT
SCHEMBL5889071 0.86 KDR (0.63) KDRKIT
SCHEMBL6803356 0.86 KDR (0.74) KDRKIT
SCHEMBL5889252 0.85 KDR (0.67) KDRKIT
SCHEMBL5889162 0.85 KDR (0.67) KDRKIT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US claimed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US claimed
US-20040023977-A1 Process for making substituted thiazolyl-amino pyrimidinyl LARSEN ROBERT D (US) 2004-02-05 US claimed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP claimed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US claimed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 WO claimed
US-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
US-20040023977-A1 Process for making substituted thiazolyl-amino pyrimidinyl LARSEN ROBERT D (US) 2004-02-05 US disclosed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 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 (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-20040023977-A1 Process for making substituted thiazolyl-amino pyrimidinyl TYK2, ERBB2, JAK2 KDR 72/4885KIT 367/4885FLT3 12/4885
US-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885KIT 957/4885FLT3 63/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885KIT 957/4885FLT3 63/4885

“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.