SCHEMBL16644584

SCHEMBL16644584

Cc1cn(-c2cc(CF)cc(NC(=O)c3ccc(C)c(C#Cc4cnc5cccnn45)c3)c2)cn1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.79
CSF1R P07333 1/20 0.62
ROR1 Q01973 3/20 0.59
KIT P10721 1/20 0.56
DDR1 Q08345 1/20 0.56
DDR2 Q16832 1/20 0.56

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
SCHEMBL16644458 0.91 ABL1 (0.71) ABL1CSF1RROR1
SCHEMBL16644460 0.89 ABL1 (0.68) ABL1CSF1RKITDDR1DDR2
SCHEMBL16644581 0.88 ABL1 (1.00) ABL1
SCHEMBL30011189 0.88 ABL1 (1.00) ABL1
SCHEMBL16644588 0.85 ABL1 (0.76) ABL1CSF1RROR1KITDDR1
SCHEMBL16938291 0.84 ABL1 (0.60) ABL1CSF1RKITDDR1DDR2
SCHEMBL30788435 0.82 ABL1 (0.88) ABL1CSF1R
SCHEMBL30788443 0.82 ABL1 (0.88) ABL1CSF1R
SCHEMBL30011770 0.82 ABL1 (1.00) ABL1CSF1R
SCHEMBL27142446 0.82 ABL1 (1.00) ABL1CSF1R

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 ABL1 75/4885CSF1R 2599/4885ROR1 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.