SCHEMBL16901723

SCHEMBL16901723

Cc1ccc2nc(NC(=O)c3ccnnc3)n(C3CCCCN(C(=O)OC(C)(C)C)C3)c2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ ITK Q08881 3/20 0.38
▸ HDAC4 P56524 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ RIN1 Q13671 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.34

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
SCHEMBL16895741 0.91 EGFR (0.43) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895740 0.91 EGFR (0.43) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL19037553 0.89 EGFR (0.59) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16901745 0.89 EGFR (0.54) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16901763 0.86 EGFR (0.58) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16901766 0.83 EGFR (0.68) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL17121685 0.82 EGFR (0.58) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16901720 0.80 BTK (0.43) EGFRHDAC4HDAC6MEN1KMT2A
SCHEMBL16901721 0.80 BTK (0.43) EGFRHDAC4HDAC6MEN1KMT2A
SCHEMBL16901722 0.80 EGFR (0.39) EGFRCYP2D6CYP3A4CYP2C9

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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