SCHEMBL9939733

SCHEMBL9939733

CCCC[Sn](CCCC)(CCCC)c1c(C)cnn1C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
CYP4F2 P78329 4/20 0.40
CYP4A11 Q02928 4/20 0.40
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
ATR Q13535 2/20 0.32
PKM P14618 1/20 0.32
RET P07949 1/20 0.32
PDE8B O95263 1/20 0.31
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
PDE9A O76083 1/20 0.30

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
SCHEMBL1555365 0.83 CYP4F2 (0.39) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL18448466 0.78 CYP4F2 (0.41) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL30891924 0.76 RXRA (0.37) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL15400766 0.76 RXRA (0.43) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL27140920 0.76 RXRA (0.37) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL2590096 0.76 GAA (0.37) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL29233754 0.75 RXRA (0.45) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL13444764 0.75 CYP4F2 (0.45) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL29049953 0.74 PDE1A (0.35) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL16132481 0.74 CYP4F2 (0.49) ALDH1A1POLBLMNACYP4F2CYP4A11

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 15 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
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof GENENTECH, INC. (US) 2016-03-03 US disclosed
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-01-21 US disclosed
US-9206175-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2015-12-08 US disclosed
EP-2922851-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2015-09-30 EP disclosed
WO-2014081718-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-05-30 WO disclosed
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-03-27 US disclosed
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 US disclosed
EP-2651899-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2012-12-20 US disclosed
WO-2012080284-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO 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 (4 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-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof XDH, CYP2B6, COX6B1 ALDH1A1 1279/4885POLB 2449/4885LMNA 1213/4885
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 ALDH1A1 1279/4885POLB 2449/4885LMNA 1213/4885
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS EGFR, ERBB2, ERBB3 ALDH1A1 3324/4885POLB 358/4885LMNA 4216/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 ALDH1A1 1279/4885POLB 2449/4885LMNA 1213/4885

“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.