SCHEMBL16644460

SCHEMBL16644460

Cc1ccc(C(=O)Nc2cc(CF)cc(-n3cnc(CN4CCCC4)c3)c2)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.68
CYP3A4 P08684 3/20 0.57
KCNH2 Q12809 3/20 0.57
CSF1R P07333 2/20 0.56
ABL2 P42684 2/20 0.56
GAK O14976 1/20 0.56
MLNR O43193 1/20 0.56
RIPK2 O43353 1/20 0.56
JAK2 O60674 1/20 0.56
NR1I2 O75469 1/20 0.56
ABCB11 O95342 1/20 0.56
MAP4K4 O95819 1/20 0.56
EGFR P00533 1/20 0.56
NR3C1 P04150 1/20 0.56
ERBB2 P04626 1/20 0.56
NTRK1 P04629 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
PGR P06401 1/20 0.56
YES1 P07947 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
SCHEMBL16644553 0.90 ABL1 (0.83) ABL1CYP3A4KCNH2CSF1RABL2
SCHEMBL16644458 0.90 ABL1 (0.71) ABL1CSF1R
SCHEMBL16644584 0.89 ABL1 (0.79) ABL1CSF1RKITDDR1DDR2
SCHEMBL27142446 0.81 ABL1 (1.00) ABL1CSF1R
SCHEMBL30011770 0.81 ABL1 (1.00) ABL1CSF1R
SCHEMBL16644588 0.80 ABL1 (0.76) ABL1CYP3A4KCNH2CSF1RABL2
SCHEMBL9610968 0.80 ABL1 (1.00) ABL1ABL2DDR1DDR2
SCHEMBL30788435 0.79 ABL1 (0.88) ABL1CSF1R
SCHEMBL9611150 0.78 ABL1 (0.85) ABL1NTRK1LCKKITBCR
SCHEMBL16644581 0.78 ABL1 (1.00) ABL1BCR

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 75/4885CYP3A4 4549/4885KCNH2 3427/4885

“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.