SCHEMBL470885

SCHEMBL470885

CCc1cc(N)c(C(C)=O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.38
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4035997 0.79 HPGD (0.46) HSD17B1TSHRCYP3A4CYP1A2CYP2D6
SCHEMBL10545243 0.78 POLB (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15103179 0.77 MAPK1 (0.39) TSHRCYP3A4CYP1A2KDM4EALDH1A1
SCHEMBL1580024 0.76 TSHR (0.53) TSHRCYP3A4CYP1A2HTR1AADRA2A
SCHEMBL273226 0.76 ALDH1A1 (0.38) GABRA1GABRB2CYP1A2HSD17B10ALDH1A1
SCHEMBL25521666 0.76 MAOB (0.33) HSD17B10KDM4EALDH1A1GAAHPGD
SCHEMBL16334782 0.76 HTT (0.50) HSD17B1CYP3A4CYP1A2CYP2D6HSD17B10
SCHEMBL21513677 0.76 DGAT1 (0.35) TSHRCYP1A2KDM4EMAOBGLA
SCHEMBL29876292 0.76 DGAT1 (0.35) TSHRCYP1A2KDM4EMAOBGLA
SCHEMBL4169614 0.75 KDM4E (0.50) TSHRCYP3A4CREBBPKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369511-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2017-12-28 US disclosed
WO-2017214269-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2017-12-14 WO disclosed
US-9708348-B2 Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-9708348-B2 Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-05-05 US disclosed
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-05-05 US disclosed
EP-2615089-B1 Pyrazoloquinoline compounds ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
WO-2016054491-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2016-04-07 WO disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
EP-2615089-A1 PYRAZOLOQUINOLINE COMPOUND Astellas Pharma Inc. (JP) 2013-07-17 EP disclosed
WO-2012033144-A1 PYRAZOLOQUINOLINE COMPOUND アステラス製薬株式会社 (JP) 2012-03-15 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 (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-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND PDE9A, PDE5A, PDE2A HSD17B1 2580/4885GABRP 3481/4885GABRD 3974/4885
US-20170369511-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HSD17B1 1901/4885GABRP 1601/4885GABRD 3244/4885
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HSD17B1 1901/4885GABRP 1601/4885GABRD 3244/4885

“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.