SCHEMBL19507549

SCHEMBL19507549

C=Nc1cc(OCC2CC23CCN(C)C3)c(N)cc1/C(=N\C)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERBB4 Q15303 1/20 0.38
▸ EGFR P00533 8/20 0.38
▸ MCHR1 Q99705 7/20 0.34
▸ MALT1 Q9UDY8 2/20 0.33
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL18633117 0.70 ERBB4 (0.51) ERBB4EGFR
SCHEMBL15106807 0.69 EGFR (0.62) EGFR
SCHEMBL24413789 0.66 CSF1R (0.46) ERBB4EGFRRAB9A
SCHEMBL15090494 0.66 EGFR (0.81) ERBB4EGFR
SCHEMBL20415682 0.65 LMNA (0.42) EGFRRAB9A
SCHEMBL21761329 0.65 EGFR (0.47) ERBB4EGFR
SCHEMBL18633116 0.65 ERBB4 (0.57) ERBB4EGFR
SCHEMBL18873071 0.65 EGFR (0.48) ERBB4EGFR
SCHEMBL24535646 0.65 EGFR (0.41) EGFR
SCHEMBL18595973 0.65 EGFR (0.50) ERBB4EGFR

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-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-10-26 — — 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-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 ERBB4 1431/4885EGFR 983/4885MCHR1 1503/4885

“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.

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