SCHEMBL16901742

SCHEMBL16901742

Cc1cc(C#N)c2c(c1)nc(N)n2C1CCCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GPR119 Q8TDV5 5/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ BTK Q06187 2/20 0.37
▸ BACE1 P56817 2/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ OPRM1 P35372 3/20 0.35
▸ OGFRL1 Q5TC84 3/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ CHEK2 O96017 2/20 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
SCHEMBL16895750 0.90 MEN1 (0.39) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL19190253 0.88 ALDH1A1 (0.38) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL19037547 0.86 BTK (0.42) MEN1KMT2APIK3CABTKBACE1
SCHEMBL16895446 0.81 EGFR (0.45) ALDH1A1MAPTGPR119PIK3CABTK
SCHEMBL16896006 0.80 PIK3CA (0.38) MEN1ALDH1A1MAPTKMT2APIK3CA
SCHEMBL16896007 0.80 PIK3CA (0.38) MEN1ALDH1A1MAPTKMT2APIK3CA
SCHEMBL16896151 0.80 EGFR (0.45) PIK3CABTKOPRM1OGFRL1OPRD1
SCHEMBL29531461 0.80 EGFR (0.45) PIK3CABTKOPRM1OGFRL1OPRD1
SCHEMBL16896153 0.80 EGFR (0.45) PIK3CABTKOPRM1OGFRL1OPRD1
SCHEMBL16901740 0.79 EGFR (0.60) —

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 MEN1 4135/4885ALDH1A1 4037/4885MAPT 2924/4885

“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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