SCHEMBL16644466

SCHEMBL16644466

Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.75
ABL1 P00519 11/20 0.73
ROR1 Q01973 6/20 0.73
CYP3A4 P08684 3/20 0.67
KCNH2 Q12809 3/20 0.67
KIT P10721 1/20 0.66
LCK P06239 1/20 0.62
SRC P12931 1/20 0.62
PDGFRA P16234 1/20 0.62
EPHB2 P29323 1/20 0.62
EPHB3 P54753 1/20 0.62
EPHB4 P54760 1/20 0.62
DDR2 Q16832 1/20 0.62
MAP4K3 Q8IVH8 1/20 0.62
NEK6 Q9HC98 1/20 0.62

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
SCHEMBL19317721 0.92 ROR1 (0.79) CSF1RABL1ROR1CYP3A4KCNH2
SCHEMBL16644461 0.88 ABL1 (0.84) CSF1RABL1ROR1CYP3A4KCNH2
SCHEMBL22559533 0.87 ABL1 (0.78) CSF1RABL1ROR1CYP3A4KCNH2
SCHEMBL22559451 0.87 CSF1R (0.70) CSF1RABL1ROR1CYP3A4KCNH2
SCHEMBL22559443 0.87 ABL1 (0.78) CSF1RABL1ROR1CYP3A4KCNH2
SCHEMBL16250614 0.86 ABL1 (0.80) CSF1RABL1ROR1CYP3A4KCNH2
SCHEMBL30987915 0.86 ROR1 (0.75) CSF1RABL1ROR1CYP3A4KCNH2
SCHEMBL24122640 0.85 ABL1 (1.00) CSF1RABL1ROR1CYP3A4KCNH2
SCHEMBL30011304 0.85 ABL1 (1.00) CSF1RABL1ROR1CYP3A4KCNH2
SCHEMBL12682241 0.85 ROR1 (0.72) CSF1RABL1ROR1CYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases ARIAD PHARMACEUTICALS, INC. 2015-04-16 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 (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-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS CSF1R 2599/4885ABL1 75/4885ROR1 263/4885

“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.