SCHEMBL264396

SCHEMBL264396

COc1cc(-c2nc(Nc3cccc(N4CCNCC4)c3)nc(N)c2C)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.50
TGFBR1 P36897 2/20 0.49
ACVR1 Q04771 2/20 0.49
CDK2 P24941 7/20 0.47
CDK9 P50750 7/20 0.47
CCNT1 O60563 6/20 0.47
CCNA2 P20248 6/20 0.47
CDK1 P06493 5/20 0.47
CCNB1 P14635 5/20 0.47
CDK7 P50613 5/20 0.47
CCNH P51946 5/20 0.47
CCNA1 P78396 3/20 0.47
CDK5 Q00535 1/20 0.45
CAMK2D Q13557 1/20 0.43
BMPR2 Q13873 1/20 0.43
ALK Q9UM73 1/20 0.42
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.41
CYBB P04839 1/20 0.41
NOX4 Q9NPH5 1/20 0.41

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
SCHEMBL266542 0.90 BRD4 (0.59) BRD4TGFBR1ACVR1CDK2CDK1
SCHEMBL264622 0.86 ACP1 (0.46) BRD4TGFBR1ACVR1CDK1BMPR2
SCHEMBL4524965 0.84 BRD4 (0.49) BRD4TGFBR1ACVR1ALKJAK2
SCHEMBL264164 0.82 BRD4 (0.45) BRD4TGFBR1ACVR1
SCHEMBL266211 0.81 BRD4 (0.53) BRD4TGFBR1ACVR1CDK2JAK2
SCHEMBL263868 0.80 BRD4 (0.64) BRD4ALK
SCHEMBL265285 0.80 JAK2 (0.54) BRD4TGFBR1ACVR1ALKJAK2
SCHEMBL264946 0.77 KCNH2 (0.46) BRD4TGFBR1ACVR1
SCHEMBL265734 0.76 BRD4 (0.85) BRD4ALKJAK2JAK1JAK3
SCHEMBL265024 0.75 SRC (0.48) BRD4

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

“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.