SCHEMBL14726402

SCHEMBL14726402

Nc1ncc(-c2ccccc2)c(Cl)n1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.56
ADORA2A P29274 7/20 0.56
DHFR P00374 2/20 0.51
KMT2A Q03164 2/20 0.50
GFER P55789 1/20 0.50
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
BCL6 P41182 1/20 0.45

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
SCHEMBL14719108 0.82 HSP90AA1 (0.58) ADORA1ADORA2ADHFR
SCHEMBL30453734 0.80 DHFR (0.66) ADORA1ADORA2ADHFRKMT2AGFER
SCHEMBL1317365 0.80 DHFR (0.66) ADORA1ADORA2ADHFRKMT2AGFER
SCHEMBL3626896 0.80 ALDH1A1 (0.42) ADORA1ADORA2AKMT2AMEN1HTT
SCHEMBL4582424 0.78 ADORA1 (0.83) ADORA1ADORA2AKMT2AGFER
Hydrochloric Acid SCHEMBL12813248 0.78 DHFR (0.64) ADORA1ADORA2ADHFRKMT2AGFER
Hydrochloric Acid SCHEMBL1091696 0.78 DHFR (0.64) ADORA1ADORA2ADHFRKMT2AGFER
SCHEMBL17412412 0.78 KMT2A (0.52) KMT2AMEN1HTT
SCHEMBL13081603 0.78 L3MBTL1 (0.47) KMT2AMEN1HTT
Ammonia Solution, Strong SCHEMBL28877790 0.77 ADORA1 (0.81) ADORA1ADORA2AKMT2AGFER

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
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
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
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
CN-101506175-A 2-anilino-4-(heterocyclic)amino-pyrimidines as inhibitors of protein kinase C-alpha BOEHRINGER INGELHEIM INT (DE) 2009-08-12 CN disclosed
CN-1328277-C Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2007-07-25 CN 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-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 ADORA1 2275/4885ADORA2A 1341/4885DHFR 2657/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 ADORA1 2275/4885ADORA2A 1341/4885DHFR 2657/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 ADORA1 2275/4885ADORA2A 1341/4885DHFR 2657/4885

“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.