SCHEMBL16901766

SCHEMBL16901766

Cc1ccc2nc(NC(=O)c3ccnnc3)n([C@@H]3CCCCN(C(=O)/C=C/CN(C)C)C3)c2c1Cl

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.68
▸ CYP2D6 P10635 3/20 0.67
▸ CYP3A4 P08684 2/20 0.62
▸ CYP2C9 P11712 2/20 0.62
▸ ITK Q08881 4/20 0.47
▸ CLK2 P49760 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ BTK Q06187 2/20 0.39
▸ FGFR1 P11362 2/20 0.38
▸ CDK14 O94921 3/20 0.38
▸ CCNY Q8ND76 3/20 0.38
▸ BLK P51451 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
SCHEMBL16895793 0.91 EGFR (0.81) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895561 0.91 EGFR (0.81) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895565 0.91 EGFR (0.81) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895797 0.91 EGFR (0.81) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895411 0.91 EGFR (0.63) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895934 0.91 EGFR (0.63) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895414 0.91 EGFR (0.63) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895939 0.91 EGFR (0.63) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16896105 0.90 EGFR (0.80) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895729 0.90 EGFR (0.80) EGFRCYP2D6CYP3A4CYP2C9ITK

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-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 — — US disclosed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 — — 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-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity EGFR, ERBB2, ERBB3 EGFR 1/4885CYP2D6 4785/4885CYP3A4 4848/4885

“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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