SCHEMBL309663

SCHEMBL309663

CCCS(=O)(=O)c1cccc(Nc2nc(NCC)ncc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.49
SYK P43405 4/20 0.49
EGFR P00533 3/20 0.49
JAK2 O60674 3/20 0.49
BTK Q06187 2/20 0.49
RET P07949 2/20 0.49
WEE1 P30291 2/20 0.49
FLT3 P36888 2/20 0.49
ALK Q9UM73 2/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DCLK1 O15075 1/20 0.49
PDPK1 O15530 1/20 0.49
DAPK3 O43293 1/20 0.49
ROCK2 O75116 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
CHEK2 O96017 1/20 0.49

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
SCHEMBL10261607 0.88 JAK1 (0.59) JAK3SYKEGFRJAK2BTK
SCHEMBL270524 0.87 JAK1 (0.53) JAK3SYKEGFRJAK2BTK
SCHEMBL10260564 0.87 JAK3 (0.64) JAK3SYKEGFRJAK2BTK
SCHEMBL10260435 0.86 GAK (0.55) JAK3SYKEGFRJAK2BTK
SCHEMBL12111065 0.85 JAK3 (0.49) JAK3SYKEGFRJAK2BTK
SCHEMBL302168 0.84 JAK3 (0.46) JAK3SYKEGFRJAK2BTK
SCHEMBL301482 0.84 JAK3 (0.48) JAK3SYKEGFRJAK2BTK
SCHEMBL10259942 0.83 BRD4 (0.63) JAK3SYKEGFRJAK2BTK
SCHEMBL10267408 0.83 BRD4 (0.64) JAK3SYKEGFRJAK2BTK
SCHEMBL10260766 0.81 KDM4E (0.52) JAK3SYKEGFRJAK2BTK

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
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP 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-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
WO-2010017122-A2 METHODS OF TREATING THALASSEMIA TARGEGEN INC. (US) 2010-02-11 WO 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
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO 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 (4 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-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 JAK3 3/4885SYK 281/4885EGFR 181/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 JAK3 3/4885SYK 281/4885EGFR 181/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 JAK3 3/4885SYK 281/4885EGFR 181/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B JAK3 5/4885SYK 43/4885EGFR 4628/4885

“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.