SCHEMBL5889064

SCHEMBL5889064

Cc1cc(Nc2ncc(-c3ccncc3)s2)nc(C)n1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIT P10721 14/20 0.62
FLT3 P36888 14/20 0.62
NTRK1 P04629 2/20 0.62
SRC P12931 2/20 0.62
KDR P35968 5/20 0.53
LIMK1 P53667 1/20 0.49

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
SCHEMBL5889000 0.88 KDR (0.69) KITFLT3SRCKDR
SCHEMBL20580588 0.87 KIT (0.60) KITFLT3NTRK1SRCKDR
SCHEMBL29539419 0.82 KIT (0.57) KITFLT3NTRK1SRCKDR
SCHEMBL22917465 0.82 KIT (0.57) KITFLT3NTRK1SRCKDR
SCHEMBL20632601 0.82 KIT (0.54) KITFLT3NTRK1SRCKDR
SCHEMBL22917493 0.81 KIT (0.80) KITFLT3NTRK1SRCKDR
SCHEMBL22917522 0.81 KIT (0.54) KITFLT3NTRK1SRCLIMK1
SCHEMBL29616151 0.81 FLT3 (0.54) KITFLT3NTRK1SRCKDR
SCHEMBL24292329 0.79 FLT3 (0.75) KITFLT3NTRK1SRCKDR
SCHEMBL22917647 0.79 KIT (0.55) KITFLT3NTRK1SRCKDR

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 3 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
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US 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 KIT 957/4885FLT3 63/4885NTRK1 507/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KIT 957/4885FLT3 63/4885NTRK1 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.