SCHEMBL16895619

SCHEMBL16895619

Cc1ccc2c(c1)nc(N)n2C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.44
▸ PIK3CA P42336 2/20 0.44
▸ BTK Q06187 1/20 0.42
▸ OPRM1 P35372 3/20 0.42
▸ OGFRL1 Q5TC84 3/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ HCAR1 Q9BXC0 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39

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
SCHEMBL16791153 1.00 EGFR (0.44) EGFRPIK3CABTKOPRM1OGFRL1
SCHEMBL16895446 0.97 EGFR (0.45) EGFRPIK3CABTKOPRM1OGFRL1
SCHEMBL16895972 0.87 RPS6KB1 (0.49) PIK3CABTKOPRM1OGFRL1OPRD1
SCHEMBL16895971 0.87 RPS6KB1 (0.49) PIK3CABTKOPRM1OGFRL1OPRD1
SCHEMBL18262106 0.86 EGFR (0.46) EGFRL3MBTL1PRKACARPS6KB1GSK3B
SCHEMBL16895826 0.84 CYP2C9 (0.44) PIK3CABTKOPRM1OGFRL1OPRD1
SCHEMBL16895807 0.82 CYP2C9 (0.44) PIK3CABTKOPRM1OGFRL1OPRD1
SCHEMBL19037547 0.80 BTK (0.42) PIK3CABTKOPRM1OGFRL1OPRD1
SCHEMBL26584990 0.79 OPRM1 (0.41) PIK3CABTKOPRM1OGFRL1OPRD1
SCHEMBL16896151 0.78 EGFR (0.45) EGFRPIK3CABTKOPRM1OGFRL1

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
US-20180153899-A1 PHARMACEUTICAL COMPOSITIONS NOVARTIS PHARMA AG (CH) 2018-06-07 — — US disclosed
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
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 (2 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 1/4885PIK3CA 43/4885BTK 77/4885
US-20180153899-A1 PHARMACEUTICAL COMPOSITIONS NR3C2, PTMS, CYP2C19 EGFR 2493/4885PIK3CA 615/4885BTK 2280/4885

“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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