SCHEMBL14719339

SCHEMBL14719339

COc1ccc(CNC(=O)c2c(C)cccc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.58
HPGD P15428 4/20 0.57
ALDH1A1 P00352 7/20 0.56
THRB P10828 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 1/20 0.52
MMP2 P08253 1/20 0.51
MEN1 O00255 1/20 0.50
EPHX2 P34913 1/20 0.50
KMT2A Q03164 1/20 0.50
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL6358788 0.92 ALDH1A1 (0.60) ALDH2HPGDALDH1A1L3MBTL1MAPT
SCHEMBL16135738 0.90 HPGD (0.63) HPGDALDH1A1THRBL3MBTL1NPC1
SCHEMBL16135706 0.86 ALDH1A1 (0.55) HPGDALDH1A1L3MBTL1MAPTNPC1
SCHEMBL16135653 0.84 HPGD (0.57) HPGDALDH1A1THRBL3MBTL1MAPT
SCHEMBL26922558 0.84 ALDH2 (0.61) ALDH2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL7853247 0.84 L3MBTL1 (0.53) HPGDALDH1A1L3MBTL1MAPTNPC1
SCHEMBL19494059 0.82 ALDH2 (0.58) ALDH2ALDH1A1MEN1KMT2A
SCHEMBL28032443 0.81 HPGD (0.54) HPGDALDH1A1THRBL3MBTL1MAPT
SCHEMBL26924100 0.81 ALDH2 (0.55) ALDH2HPGDALDH1A1THRBMAPT
SCHEMBL23984534 0.80 HPGD (0.67) HPGDALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
CN-103998442-B Heterocyclic compound and application thereof 无限药品股份有限公司 2016-09-14 CN disclosed
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
EP-2751093-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Infinity Pharmaceuticals, Inc. (US) 2014-07-09 EP disclosed
US-20140100214-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2014-04-10 US disclosed
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 WO disclosed
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 WO disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 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 (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-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 ALDH2 2944/4885HPGD 1385/4885ALDH1A1 3879/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 ALDH2 2944/4885HPGD 1385/4885ALDH1A1 3879/4885
US-20140100214-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 ALDH2 2944/4885HPGD 1385/4885ALDH1A1 3879/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 ALDH2 2944/4885HPGD 1385/4885ALDH1A1 3879/4885

“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.