SCHEMBL270236

SCHEMBL270236

Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.54
JAK3 P52333 8/20 0.54
JAK1 P23458 6/20 0.54
JAK2 O60674 5/20 0.54
BRDT Q58F21 4/20 0.54
RET P07949 2/20 0.54
WEE1 P30291 2/20 0.54
FLT3 P36888 2/20 0.54
ALK Q9UM73 2/20 0.54
EGFR P00533 2/20 0.54
BTK Q06187 2/20 0.54
SYK P43405 2/20 0.54
BMPR1B O00238 1/20 0.54
PLK4 O00444 1/20 0.54
STK25 O00506 1/20 0.54
CIT O14578 1/20 0.54
RIOK3 O14730 1/20 0.54
CHEK1 O14757 1/20 0.54
IKBKB O14920 1/20 0.54
CASK O14936 1/20 0.54

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
SCHEMBL270240 0.99 BRD4 (0.55) BRD4JAK3JAK1JAK2BRDT
SCHEMBL270247 0.90 BRD4 (0.54) BRD4JAK3JAK1JAK2BRDT
SCHEMBL17915964 0.89 ALDH1A1 (0.54) BRD4JAK3JAK1JAK2BRDT
SCHEMBL264344 0.89 BRD4 (0.69) BRD4JAK3JAK1JAK2BRDT
SCHEMBL17915905 0.88 KDM4E (0.54) BRD4JAK3JAK1JAK2BRDT
SCHEMBL301185 0.86 ALDH1A1 (0.52) BRD4JAK3JAK1JAK2BRDT
SCHEMBL12320856 0.85 ALDH1A1 (0.51) BRD4JAK3JAK1JAK2BRDT
SCHEMBL270237 0.85 BRD4 (0.50) BRD4JAK3JAK1JAK2BRDT
SCHEMBL24124309 0.85 JAK3 (0.57) BRD4JAK3JAK1JAK2BRDT
SCHEMBL10260766 0.85 KDM4E (0.52) BRD4JAK3JAK1JAK2BRDT

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 18 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-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-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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
WO-2010017122-A2 METHODS OF TREATING THALASSEMIA TARGEGEN INC. (US) 2010-02-11 WO 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-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 (6 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 156/4885JAK3 4/4885JAK1 6/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885JAK3 3/4885JAK1 4/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885JAK3 3/4885JAK1 4/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 BRD4 142/4885JAK3 3/4885JAK1 4/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRD4 142/4885JAK3 3/4885JAK1 4/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B BRD4 1036/4885JAK3 5/4885JAK1 4/4885

“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.