SCHEMBL264739

SCHEMBL264739

Cc1c(N)nc(N)nc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.58
ADORA1 P30542 2/20 0.58
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
IKBKB O14920 1/20 0.51
BRD4 O60885 1/20 0.48
KDM1A O60341 1/20 0.44
XDH P47989 2/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GABRA1 P14867 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL28267182 0.83 ADORA2A (0.56) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL12137690 0.82 CYP1A2 (0.56) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL1357943 0.82 ADORA2A (0.58) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL27942788 0.81 HEXA (0.54) ADORA2AADORA1ALDH1A1
SCHEMBL28043777 0.81 ADORA2A (0.51) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL12137475 0.81 ADORA2A (0.64) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL1358006 0.80 ADORA2A (0.56) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL13481022 0.79 ADORA2A (0.74) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL12137696 0.79 ADORA2A (0.49) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL28152107 0.78 ADORA2A (0.53) ADORA2AADORA1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143206-B Pyrimidine -2,4- diamine derivative for treating cancer 托马斯·黑勒戴药物研究基金会 2019-01-15 CN disclosed
CN-106794181-A MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions 托马斯·黑勒戴药物研究基金会 2017-05-31 CN disclosed
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
CN-103626742-A Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC 2014-03-12 CN disclosed
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US disclosed
CN-101370792-B Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC 2013-03-20 CN disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
CN-101370792-A Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC (US) 2009-02-18 CN disclosed
EP-1951684-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES Targegen, Inc. (US) 2008-08-06 EP disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 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 (5 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK ADORA2A 460/4885ADORA1 819/4885CYP1A2 1992/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ADORA2A 646/4885ADORA1 1053/4885CYP1A2 1622/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ADORA2A 646/4885ADORA1 1053/4885CYP1A2 1622/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 ADORA2A 646/4885ADORA1 1053/4885CYP1A2 1622/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 ADORA2A 646/4885ADORA1 1053/4885CYP1A2 1622/4885

“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.