SCHEMBL264622

SCHEMBL264622

COc1cc(-c2nc(Nc3cccc(CN4CCNCC4)c3)nc(N)c2C)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.46
PDPK1 O15530 3/20 0.42
BRD4 O60885 2/20 0.41
DYRK2 Q92630 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
CHRM3 P20309 1/20 0.39
PDE5A O76074 1/20 0.39
CYBB P04839 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
SRC P12931 1/20 0.38
BMPR2 Q13873 1/20 0.38

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
SCHEMBL264164 0.92 BRD4 (0.45) BRD4DYRK2USP2ALDH1A1POLB
SCHEMBL264396 0.86 BRD4 (0.50) BRD4TGFBR1ACVR1CYBBNOX4
SCHEMBL263658 0.82 ACP1 (0.45) ACP1BRD4ALDH1A1SMN1; SMN2AXL
SCHEMBL263234 0.82 AXL (0.54) BRD4TGFBR1ACVR1AXLMERTK
SCHEMBL266542 0.81 BRD4 (0.59) BRD4TGFBR1ACVR1CDK1
SCHEMBL4524965 0.78 BRD4 (0.49) BRD4TGFBR1ACVR1SRC
SCHEMBL270350 0.77 BRD4 (0.70) BRD4AXL
SCHEMBL264925 0.75 PDE4B (0.42) BRD4USP2ALDH1A1POLBMAPT
SCHEMBL266211 0.74 BRD4 (0.53) BRD4ALDH1A1MAPTMAPK1TDP1
SCHEMBL263711 0.73 AXL (0.57) TGFBR1SRCBMPR2AXLKDR

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 ACP1 986/4885PDPK1 293/4885BRD4 156/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ACP1 1112/4885PDPK1 138/4885BRD4 142/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ACP1 1112/4885PDPK1 138/4885BRD4 142/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 ACP1 1112/4885PDPK1 138/4885BRD4 142/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 ACP1 1112/4885PDPK1 138/4885BRD4 142/4885

“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.