SCHEMBL16640182

SCHEMBL16640182

Cc1ccc(C(=O)Nc2cc(N(C)CCO)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.74
ROR1 Q01973 2/20 0.66
CSF1R P07333 2/20 0.61
DDR1 Q08345 2/20 0.58
DDR2 Q16832 2/20 0.58
GAK O14976 1/20 0.58
MLNR O43193 1/20 0.58
RIPK2 O43353 1/20 0.58
JAK2 O60674 1/20 0.58
NR1I2 O75469 1/20 0.58
ABCB11 O95342 1/20 0.58
MAP4K4 O95819 1/20 0.58
EGFR P00533 1/20 0.58
NR3C1 P04150 1/20 0.58
ERBB2 P04626 1/20 0.58
NTRK1 P04629 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
PGR P06401 1/20 0.58
YES1 P07947 1/20 0.58

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
SCHEMBL16644583 0.89 ROR1 (0.67) ABL1ROR1CSF1RCYP3A4KCNH2
SCHEMBL27149597 0.85 ABL1 (1.00) ABL1ROR1CSF1RDDR1DDR2
SCHEMBL30010331 0.85 ABL1 (1.00) ABL1ROR1CSF1RDDR1DDR2
SCHEMBL16644465 0.84 ABL1 (1.00) ABL1ROR1CSF1RDDR1DDR2
SCHEMBL16644461 0.84 ABL1 (0.84) ABL1ROR1CSF1RDDR1DDR2
SCHEMBL30788441 0.84 ABL1 (0.80) ABL1ROR1CSF1RDDR1DDR2
SCHEMBL30788442 0.83 ABL1 (0.79) ABL1ROR1CSF1RDDR1DDR2
SCHEMBL30788453 0.83 ABL1 (0.79) ABL1ROR1CSF1RDDR1DDR2
SCHEMBL31544608 0.83 ABL1 (0.79) ABL1ROR1CSF1RDDR1DDR2
SCHEMBL30788446 0.83 ABL1 (0.78) ABL1ROR1CSF1R

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 2 patents. 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
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 75/4885ROR1 263/4885CSF1R 2599/4885

“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.