SCHEMBL18239605

SCHEMBL18239605

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.59
IGF1R P08069 9/20 0.42
KCNH2 Q12809 6/20 0.42
INSR P06213 3/20 0.41
ALK Q9UM73 3/20 0.41
ZAP70 P43403 2/20 0.40
LRRK2 Q5S007 4/20 0.40
MAPK8 P45983 2/20 0.39
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DCLK1 O15075 1/20 0.39
PDPK1 O15530 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39

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 0.94 EGFR (0.51) EGFRIGF1RKCNH2LRRK2CDK1
SCHEMBL18239602 0.90 EGFR (0.48) EGFRIGF1RKCNH2LRRK2CDK1
SCHEMBL18202343 0.87 EGFR (0.45) EGFRKCNH2INSRALKZAP70
SCHEMBL23944943 0.87 EGFR (0.64) EGFRIGF1RKCNH2INSR
SCHEMBL18239603 0.87 EGFR (0.74) EGFRIGF1RKCNH2INSR
SCHEMBL18202243 0.86 EGFR (0.58) EGFRMKNK2
SCHEMBL18202345 0.86 EGFR (0.43) EGFRKCNH2LRRK2CDK1CDK2
SCHEMBL19921295 0.84 EGFR (0.42) EGFRKCNH2LRRK2CDK1CDK2
SCHEMBL18202259 0.84 EGFR (0.42) EGFRIGF1RKCNH2INSRALK
SCHEMBL18202149 0.83 EGFR (0.64) 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 2/4885IGF1R 384/4885KCNH2 4480/4885

“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.