SCHEMBL17438428

SCHEMBL17438428

CCC(C)n1c([C@H](C)OC2CCCCO2)nc2cnc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL19861681 1.00 RORC (0.35) RORCKDM4CNPC1RAB9A
SCHEMBL15742232 1.00 RORC (0.35) RORCKDM4CNPC1RAB9A
SCHEMBL17438427 1.00 RORC (0.35) RORCKDM4CNPC1RAB9A
SCHEMBL17438429 1.00 RORC (0.35) RORCKDM4CNPC1RAB9A
SCHEMBL15742228 1.00 RORC (0.35) RORCKDM4CNPC1RAB9A
SCHEMBL15742230 1.00 RORC (0.35) RORCKDM4CNPC1RAB9A
SCHEMBL17438596 0.90 KDM4C (0.31) KDM4CNPC1RAB9A
SCHEMBL17438293 0.90 KDM4C (0.31) KDM4CNPC1RAB9A
SCHEMBL15742243 0.90 KDM4C (0.31) KDM4CNPC1RAB9A
SCHEMBL15749126 0.90 KDM4C (0.31) KDM4CNPC1RAB9A

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-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 — — EP disclosed
US-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 — — US disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 — — EP disclosed
EP-3181564-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2017-06-21 — — EP disclosed
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-01-21 — — 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-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS EGFR, ERBB2, ERBB3 RORC 3750/4885KDM4C 3276/4885NPC1 3318/4885

“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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