SCHEMBL16895972

SCHEMBL16895972

COC(=O)c1ccc2c(c1)nc(N)n2[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.49
▸ CHEK2 O96017 2/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ RORC P51449 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ OPRM1 P35372 3/20 0.40
▸ OGFRL1 Q5TC84 3/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ FPR2 P25090 1/20 0.39
▸ IDH1 O75874 2/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HCAR1 Q9BXC0 1/20 0.38

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
SCHEMBL16895971 1.00 RPS6KB1 (0.49) RPS6KB1CHEK2HDAC4HDAC6RORC
SCHEMBL16895619 0.87 EGFR (0.44) RPS6KB1CHEK2USP30PIK3CABTK
SCHEMBL16791153 0.87 EGFR (0.44) RPS6KB1CHEK2USP30PIK3CABTK
SCHEMBL16895446 0.84 EGFR (0.45) RPS6KB1CHEK2PIK3CABTKOPRM1
SCHEMBL21496906 0.83 P2RX3 (0.48) CHEK2RORCSCN9AKDM4E
SCHEMBL16895826 0.81 CYP2C9 (0.44) CHEK2HDAC4HDAC6PIK3CABTK
SCHEMBL16896008 0.80 EGFR (0.65) —
SCHEMBL16896010 0.80 EGFR (0.65) —
SCHEMBL19190253 0.79 ALDH1A1 (0.38) CHEK2HDAC4HDAC6USP30PIK3CA
SCHEMBL16895807 0.79 CYP2C9 (0.44) CHEK2HDAC4HDAC6PIK3CABTK

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 6 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-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 RPS6KB1 284/4885CHEK2 560/4885HDAC4 2282/4885

“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.

Send feedback