SCHEMBL2972504

SCHEMBL2972504

Brc1ccc2c(c1)C(c1ccccc1)=CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.37
CHRM1 P11229 1/20 0.37
PTPRC P08575 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 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
SCHEMBL2963361 0.85 CYP3A4 (0.42) TDP1L3MBTL1MAPK1ALDH1A1PTGDR2
SCHEMBL31414378 0.80 CYP3A4 (0.44) MAPTCYP19A1PARP1PARP10CA1
SCHEMBL15854676 0.78 BIRC5 (0.52) PARP10MAP4K5MAP4K4CSNK1G2CLK4
SCHEMBL170839 0.78 ALDH1A1 (0.39) TDP1MAPK1ALDH1A1PTPRCKDM4E
SCHEMBL29598333 0.78 ALDH1A1 (0.39) TDP1MAPK1ALDH1A1PTPRCKDM4E
SCHEMBL2967627 0.77 TDP1 (0.40) TDP1L3MBTL1MAPK1ALDH1A1PTPRC
SCHEMBL6198719 0.77 ALDH1A1 (0.43) TDP1L3MBTL1MAPK1ALDH1A1PTPRC
SCHEMBL17276313 0.76 TDP1 (0.42) TDP1L3MBTL1MAPK1PTPRC
SCHEMBL2974942 0.75 PIK3R1 (0.42) TDP1L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL2973403 0.75 KMT2A (0.38) TDP1L3MBTL1ALDH1A1KDM4ELMNA

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 11 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 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
US-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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
WO-2016077380-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 WO disclosed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 TDP1 4183/4885L3MBTL1 258/4885MAPK1 3118/4885
US-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 TDP1 718/4885L3MBTL1 2782/4885MAPK1 759/4885
US-10150767-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 TDP1 718/4885L3MBTL1 2782/4885MAPK1 759/4885

“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.