SCHEMBL270779

SCHEMBL270779

Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.50
RAPGEF4 Q8WZA2 1/20 0.50
STK17A Q9UEE5 6/20 0.48
JAK1 P23458 3/20 0.47
JAK2 O60674 2/20 0.47
CYP3A4 P08684 2/20 0.47
JAK3 P52333 2/20 0.47
STK17B O94768 2/20 0.44
HDAC1 Q13547 1/20 0.43
DHODH Q02127 1/20 0.43
AURKA O14965 1/20 0.43
ULK1 O75385 1/20 0.43
HSP90AA1 P07900 1/20 0.43
SYK P43405 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 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
SCHEMBL17915945 0.88 RAPGEF4 (0.52) BRD4RAPGEF4STK17AJAK1JAK2
SCHEMBL270641 0.87 AURKA (0.48) BRD4STK17AJAK1JAK3HDAC1
SCHEMBL270630 0.87 STK17A (0.56) BRD4STK17AJAK1JAK3STK17B
SCHEMBL270203 0.86 BRD4 (0.49) BRD4RAPGEF4STK17AJAK1JAK2
SCHEMBL301488 0.85 STK17A (0.53) BRD4RAPGEF4STK17AJAK1JAK2
SCHEMBL265776 0.84 RAPGEF4 (0.56) BRD4RAPGEF4STK17AJAK1JAK2
SCHEMBL13868232 0.83 STK17A (0.48) BRD4RAPGEF4STK17AJAK1JAK2
SCHEMBL12110919 0.82 RAPGEF4 (0.53) BRD4RAPGEF4STK17AJAK1JAK2
SCHEMBL270763 0.81 BRD4 (0.61) BRD4JAK1JAK2CYP3A4JAK3
SCHEMBL270778 0.80 AURKA (0.52) BRD4STK17AJAK1JAK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 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-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 156/4885RAPGEF4 3623/4885STK17A 291/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885RAPGEF4 2982/4885STK17A 243/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885RAPGEF4 2982/4885STK17A 243/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 BRD4 142/4885RAPGEF4 2982/4885STK17A 243/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRD4 142/4885RAPGEF4 2982/4885STK17A 243/4885

“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.