SCHEMBL3544316

SCHEMBL3544316

COCCN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)nc(OC)nc2cc1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.55
▸ ERBB2 P04626 15/20 0.53
▸ ERBB4 Q15303 3/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ CIT O14578 1/20 0.48
▸ GAK O14976 1/20 0.48
▸ EPHB6 O15197 1/20 0.48
▸ RIPK2 O43353 1/20 0.48
▸ STK10 O94804 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ LYN P07948 1/20 0.48
▸ RET P07949 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ MET P08581 1/20 0.48
▸ HCK P08631 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ PHKG2 P15735 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ERBB3 P21860 1/20 0.48

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
SCHEMBL16986930 0.92 EGFR (0.56) EGFRERBB2ERBB4JAK3CIT
SCHEMBL29737288 0.92 EGFR (0.59) EGFRERBB2ERBB4JAK3CIT
SCHEMBL18010603 0.84 EGFR (0.51) EGFRERBB2ERBB4JAK3CIT
SCHEMBL5374589 0.84 EGFR (0.49) EGFRERBB2ERBB4JAK3GAK
SCHEMBL27704368 0.82 EGFR (0.63) EGFRERBB2ERBB4JAK3GAK
SCHEMBL7852173 0.82 EGFR (0.59) EGFRERBB2ERBB4JAK3GAK
SCHEMBL3762497 0.81 SOS1 (0.40) EGFRERBB2
SCHEMBL3541445 0.81 SOS1 (0.40) EGFRERBB2
SCHEMBL7224452 0.81 EGFR (0.55) EGFRERBB2ERBB4JAK3CIT
SCHEMBL27745983 0.79 EGFR (0.53) EGFRERBB2ERBB4JAK3GAK

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-7759365-B2 Piperidine-substituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 — — US disclosed
US-20060247230-A1 Novel Piperidine-Substituted Indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 — — 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-20060247230-A1 Novel Piperidine-Substituted Indoles CCR3, CCR1, CCR2 EGFR 1665/4885ERBB2 1498/4885ERBB4 1921/4885

“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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