SCHEMBL266542

SCHEMBL266542

COc1cc(-c2nc(Nc3ccc(N4CCNCC4)cc3)nc(N)c2C)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.59
ACVR1 Q04771 8/20 0.56
TGFBR1 P36897 7/20 0.56
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
JAK2 O60674 1/20 0.45
ACVR1B P36896 2/20 0.44
KCNH2 Q12809 2/20 0.44
BMPR1B O00238 1/20 0.44
ABL1 P00519 1/20 0.44
ADRA2A P08913 1/20 0.44
CNR1 P21554 1/20 0.44
BMPR1A P36894 1/20 0.44
ACVRL1 P37023 1/20 0.44
DDR1 Q08345 1/20 0.44
PTK6 Q13882 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
SIK2 Q9H0K1 1/20 0.44
MAP3K20 Q9NYL2 1/20 0.44
NLK Q9UBE8 1/20 0.44

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
SCHEMBL266211 0.91 BRD4 (0.53) BRD4ACVR1TGFBR1BRD2BRD3
SCHEMBL264396 0.90 BRD4 (0.50) BRD4ACVR1TGFBR1JAK2CDK1
SCHEMBL263868 0.90 BRD4 (0.64) BRD4BRD2BRD3ALK
SCHEMBL265285 0.90 JAK2 (0.54) BRD4ACVR1TGFBR1BRD2BRD3
SCHEMBL4524965 0.88 BRD4 (0.49) BRD4ACVR1TGFBR1JAK2KCNH2
SCHEMBL264164 0.88 BRD4 (0.45) BRD4ACVR1TGFBR1
SCHEMBL264946 0.82 KCNH2 (0.46) BRD4ACVR1TGFBR1ACVR1BKCNH2
SCHEMBL264622 0.81 ACP1 (0.46) BRD4ACVR1TGFBR1CDK1
SCHEMBL263658 0.81 ACP1 (0.45) BRD4JAK2KCNH2CDK1
SCHEMBL265024 0.80 SRC (0.48) BRD4ABL1

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 156/4885ACVR1 2986/4885TGFBR1 1400/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885ACVR1 2583/4885TGFBR1 1929/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885ACVR1 2583/4885TGFBR1 1929/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 BRD4 142/4885ACVR1 2583/4885TGFBR1 1929/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRD4 142/4885ACVR1 2583/4885TGFBR1 1929/4885

“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.