SCHEMBL16895741

SCHEMBL16895741

COc1ccc2nc(NC(=O)c3ccnnc3)n([C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)c2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ TNF P01375 3/20 0.40
▸ LITAF Q99732 3/20 0.40
▸ ITK Q08881 2/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL16895740 1.00 EGFR (0.43) EGFRCYP2D6CYP3A4CYP2C9TNF
SCHEMBL16901723 0.91 EGFR (0.46) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895391 0.88 EGFR (0.53) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895389 0.88 EGFR (0.53) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16901745 0.87 EGFR (0.54) EGFRCYP2D6CYP3A4CYP2C9TNF
SCHEMBL16895934 0.84 EGFR (0.63) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895411 0.84 EGFR (0.63) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895939 0.84 EGFR (0.63) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895414 0.84 EGFR (0.63) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16903408 0.81 EGFR (0.39) EGFRCYP2D6PDE4B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257848-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY Novartis AG (CH) 2017-12-20 — — EP disclosed
EP-2773635-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
EP-2773635-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
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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