SCHEMBL9611003

SCHEMBL9611003

Cc1ccc(C(=O)Nc2ccc(CC(=N)N)c(CF)c2)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.64
ROR1 Q01973 5/20 0.63
CSF1R P07333 2/20 0.62
CYP3A4 P08684 4/20 0.62
KCNH2 Q12809 4/20 0.62
ABL2 P42684 2/20 0.62
GAK O14976 1/20 0.62
MLNR O43193 1/20 0.62
RIPK2 O43353 1/20 0.62
JAK2 O60674 1/20 0.62
NR1I2 O75469 1/20 0.62
ABCB11 O95342 1/20 0.62
MAP4K4 O95819 1/20 0.62
EGFR P00533 1/20 0.62
NR3C1 P04150 1/20 0.62
ERBB2 P04626 1/20 0.62
NTRK1 P04629 1/20 0.62
LCK P06239 1/20 0.62
FYN P06241 1/20 0.62
PGR P06401 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
SCHEMBL15061740 0.90 ABL1 (0.74) ABL1ROR1CSF1RCYP3A4KCNH2
SCHEMBL15473029 0.85 ABL1 (0.83) ABL1CSF1RCYP3A4KCNH2ABL2
SCHEMBL16644588 0.83 ABL1 (0.76) ABL1ROR1CSF1RCYP3A4KCNH2
SCHEMBL16241445 0.82 ABL1 (0.78) ABL1ROR1CSF1RCYP3A4KCNH2
SCHEMBL16644576 0.82 ABL1 (0.82) ABL1CSF1RCYP3A4KCNH2ABL2
SCHEMBL31697365 0.82 ABL1 (0.80) ABL1ROR1CSF1RCYP3A4KCNH2
SCHEMBL18298082 0.82 ABL1 (0.80) ABL1ROR1CSF1RCYP3A4KCNH2
SCHEMBL22559533 0.81 ABL1 (0.78) ABL1ROR1CSF1RCYP3A4KCNH2
SCHEMBL22559443 0.81 ABL1 (0.78) ABL1ROR1CSF1RCYP3A4KCNH2
SCHEMBL19317721 0.80 ROR1 (0.79) ABL1ROR1CSF1RCYP3A4KCNH2

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-20120135986-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-05-31 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-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885ROR1 2680/4885CSF1R 3497/4885

“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.