SCHEMBL18239602

SCHEMBL18239602

COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C#N)c(-c2c3n(c4ccccc24)CCOC3)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.48
LRRK2 Q5S007 9/20 0.43
IGF1R P08069 2/20 0.37
KCNH2 Q12809 1/20 0.37
CDK1 P06493 1/20 0.37
KDR P35968 1/20 0.37
PTK2 Q05397 1/20 0.37
CDK2 P24941 1/20 0.36
GSK3A P49840 1/20 0.36
MAPK15 Q8TD08 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36

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
SCHEMBL18202145 0.93 EGFR (0.51) EGFRLRRK2IGF1RKCNH2CDK1
SCHEMBL18239605 0.90 EGFR (0.59) EGFRLRRK2IGF1RKCNH2CDK1
SCHEMBL18239606 0.87 EGFR (0.62) EGFRIGF1RKCNH2
SCHEMBL18202345 0.85 EGFR (0.43) EGFRLRRK2KCNH2CDK1PTK2
SCHEMBL18202243 0.85 EGFR (0.58) EGFR
SCHEMBL18202343 0.84 EGFR (0.45) EGFRLRRK2KCNH2CDK1CDK2
SCHEMBL19921295 0.84 EGFR (0.42) EGFRLRRK2KCNH2CDK1PTK2
SCHEMBL18202259 0.83 EGFR (0.42) EGFRLRRK2IGF1RKCNH2CDK1
SCHEMBL18202149 0.82 EGFR (0.64) EGFRIGF1RKCNH2
SCHEMBL18202150 0.81 EGFR (0.56) EGFRIGF1RKCNH2

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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 US disclosed
WO-2016183278-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2016-11-17 WO 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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 EGFR 2/4885LRRK2 226/4885IGF1R 384/4885

“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.