SCHEMBL16896007

SCHEMBL16896007

Cc1cc(CO)cc2nc(N)n([C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.38
▸ BTK Q06187 1/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ CTSD P07339 1/20 0.38
▸ OPRM1 P35372 3/20 0.37
▸ OGFRL1 Q5TC84 3/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ OPRD1 P41143 2/20 0.36
▸ SRC P12931 2/20 0.36
▸ PREP P48147 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ CHEK2 O96017 2/20 0.35
▸ TNF P01375 2/20 0.35
▸ LITAF Q99732 2/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCND2 P30279 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL16896006 1.00 PIK3CA (0.38) PIK3CABTKBACE1CTSDOPRM1
SCHEMBL29531461 0.83 EGFR (0.45) PIK3CABTKOPRM1OGFRL1OPRK1
SCHEMBL16896153 0.83 EGFR (0.45) PIK3CABTKOPRM1OGFRL1OPRK1
SCHEMBL16896151 0.83 EGFR (0.45) PIK3CABTKOPRM1OGFRL1OPRK1
SCHEMBL16896019 0.83 EGFR (0.46) EGFR
SCHEMBL16896021 0.83 EGFR (0.46) EGFR
SCHEMBL19037547 0.83 BTK (0.42) PIK3CABTKBACE1CTSDOPRM1
SCHEMBL16895696 0.82 EGFR (0.49) EGFRKDM4E
SCHEMBL16895698 0.82 EGFR (0.49) EGFRKDM4E
SCHEMBL16901721 0.81 BTK (0.43) PIK3CABTKBACE1CTSDOPRM1

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 8 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-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
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 PIK3CA 43/4885BTK 77/4885BACE1 3016/4885

“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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