SCHEMBL265022

SCHEMBL265022

Cc1c(N)nc(Nc2ccc(OC3CCNCC3)cc2)nc1-c1cccc2[nH]ncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
PIK3CA P42336 5/20 0.38
PTK6 Q13882 2/20 0.36
ROCK1 Q13464 1/20 0.36
PRKCZ Q05513 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
AXL P30530 1/20 0.35
DYRK1A Q13627 2/20 0.35
ACVR1B P36896 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
KCNH2 Q12809 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
IKBKB O14920 1/20 0.34

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
SCHEMBL265114 0.87 KDR (0.40) PIK3CAROCK1PRKCZPIK3CDPIK3CB
SCHEMBL277891 0.83 AXL (0.36) ROCK1PRKCZAXLDYRK1AACVR1B
SCHEMBL264693 0.76 SYK (0.39) ROCK1PRKCZDYRK1AACVR1BTGFBR1
SCHEMBL264310 0.76 CTSL (0.42) BRD4ROCK1AXLACVR1BTGFBR1
SCHEMBL737991 0.76 ROCK1 (0.38) BRD4ROCK1PRKCZAXLACVR1B
SCHEMBL264663 0.75 JAK2 (0.42) ROCK1AXLDYRK1AACVR1BTGFBR1
SCHEMBL270462 0.74 PDGFRB (0.49) ROCK1AXLJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL264901 0.74 PDGFRB (0.48) ROCK1AXLJAK2JAK1TYK2
SCHEMBL737311 0.73 CHRNA7 (0.42) BRD4PIK3CAPTK6ROCK1PRKCZ
SCHEMBL14536378 0.73 ROCK1 (0.46) ROCK1AXLKCNH2JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US 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
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

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 BRD4 156/4885ATAD2 2772/4885PIK3CA 342/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885ATAD2 1438/4885PIK3CA 158/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885ATAD2 1438/4885PIK3CA 158/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 BRD4 142/4885ATAD2 1438/4885PIK3CA 158/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRD4 142/4885ATAD2 1438/4885PIK3CA 158/4885

“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.