SCHEMBL18239606

SCHEMBL18239606

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.62
KCNH2 Q12809 3/20 0.50
IGF1R P08069 2/20 0.50

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
SCHEMBL18202149 0.92 EGFR (0.64) EGFRKCNH2IGF1R
SCHEMBL18239603 0.91 EGFR (0.74) EGFRKCNH2IGF1R
SCHEMBL18239597 0.89 EGFR (0.63) EGFRKCNH2IGF1R
SCHEMBL18239602 0.87 EGFR (0.48) EGFRKCNH2IGF1R
SCHEMBL18202334 0.87 EGFR (0.73) EGFRKCNH2
SCHEMBL18202150 0.86 EGFR (0.56) EGFRKCNH2IGF1R
SCHEMBL18229905 0.86 EGFR (0.84) EGFRKCNH2IGF1R
SCHEMBL19921310 0.85 EGFR (0.59) EGFRKCNH2IGF1R
SCHEMBL18202241 0.85 EGFR (0.55) EGFR
SCHEMBL18202246 0.84 EGFR (0.57) EGFRKCNH2IGF1R

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 2/4885KCNH2 4480/4885IGF1R 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.