SCHEMBL5889110

SCHEMBL5889110

Cc1nc(Nc2ncc(C#N)s2)cc(N2CCN(CCN3CCOCC3)CC2)n1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.74
SRC P12931 3/20 0.55
KIT P10721 11/20 0.54
FLT3 P36888 11/20 0.54
NTRK1 P04629 2/20 0.52
ABL1 P00519 2/20 0.52
SIK1 P57059 1/20 0.51
SIK2 Q9H0K1 1/20 0.51
SIK3 Q9Y2K2 1/20 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
SCHEMBL4592543 0.86 KDR (0.60) KDRKITFLT3ABL1
SCHEMBL5889097 0.85 KDR (1.00) KDRKITFLT3ABL1
SCHEMBL4587539 0.85 KIT (0.68) KDRSRCKITFLT3
SCHEMBL4586176 0.84 KIT (0.62) KDRSRCKITFLT3
SCHEMBL6803140 0.82 KDR (1.00) KDRKITFLT3ABL1
SCHEMBL4616997 0.82 KDR (0.54) KDRSRCKITFLT3
SCHEMBL5889024 0.80 KDR (0.54) KDRSRCKITFLT3NTRK1
SCHEMBL5889115 0.77 KDR (0.65) KDR
SCHEMBL6808204 0.76 KDR (1.00) KDRKITFLT3
SCHEMBL5889029 0.76 KDR (0.84) KDRABL1

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 5 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 disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 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 (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-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885SRC 37/4885KIT 957/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885SRC 37/4885KIT 957/4885

“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.