SCHEMBL3041672

SCHEMBL3041672

COCCC(=O)Nc1cc[c]cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL16161732 0.83 ALDH1A1 (0.66) L3MBTL1ALDH1A1MAPTKMT2ACYP1A2
SCHEMBL3469024 0.82 CYP3A4 (0.67) L3MBTL1ALDH1A1MAPTKMT2ACYP1A2
SCHEMBL196369 0.82 HPGD (0.64) L3MBTL1ALDH1A1MAPTKMT2ACYP2C19
SCHEMBL3236814 0.81 KMT2A (0.65) L3MBTL1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL3039450 0.81 NPC1 (0.56) L3MBTL1ALDH1A1MAPTKMT2ACYP1A2
SCHEMBL145468 0.80 TP53 (0.67) ALDH1A1MAPTKMT2ACYP2C19NPC1
SCHEMBL13546128 0.80 MEN1 (0.54) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL1355675 0.80 L3MBTL1 (0.58) L3MBTL1ALDH1A1MAPTKMT2ARAB9A
SCHEMBL3037762 0.79 L3MBTL1 (0.51) L3MBTL1ALDH1A1MAPTKMT2ACYP1A2
SCHEMBL29349031 0.79 HPGD (0.71) L3MBTL1MAPTKMT2ANPC1RAB9A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218374-B1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2021-12-29 EP claimed
CN-107108614-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2021-06-01 CN claimed
US-10150767-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2018-12-11 US claimed
US-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US claimed
EP-3218374-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 EP claimed
WO-2016077380-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 WO claimed
EP-3218374-B1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2021-12-29 EP disclosed
CN-107108614-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2021-06-01 CN disclosed
US-10150767-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2018-12-11 US disclosed
US-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
EP-3218374-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016077380-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 WO disclosed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 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 (3 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF L3MBTL1 3427/4885ALDH1A1 948/4885MAPT 4079/4885
US-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 L3MBTL1 2782/4885ALDH1A1 2006/4885MAPT 1179/4885
US-10150767-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 L3MBTL1 2782/4885ALDH1A1 2006/4885MAPT 1179/4885

“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.