SCHEMBL270239

SCHEMBL270239

CC(=O)Nc1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.58
BTK Q06187 4/20 0.58
JAK3 P52333 2/20 0.58
ITK Q08881 5/20 0.57
SYK P43405 2/20 0.54
MAP3K5 Q99683 1/20 0.53
BRD4 O60885 4/20 0.52
ABL1 P00519 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL12111172 0.89 EGFR (0.60) EGFRBTKJAK3ITKSYK
SCHEMBL270226 0.89 EGFR (0.62) EGFRBTKJAK3ITKSYK
SCHEMBL271089 0.88 EGFR (0.66) EGFRBTKJAK3ITKSYK
SCHEMBL17915928 0.87 BTK (0.65) EGFRBTKJAK3ITKSYK
SCHEMBL20216213 0.86 EGFR (0.77) EGFRBTKJAK3ITKSYK
SCHEMBL21108821 0.85 EGFR (0.78) EGFRBTKJAK3ITKSYK
SCHEMBL270255 0.84 BTK (0.54) EGFRBTKJAK3ITKSYK
SCHEMBL301856 0.84 EGFR (0.64) EGFRBTKJAK3ITKSYK
SCHEMBL270179 0.83 SYK (0.78) EGFRBTKJAK3ITKSYK
SCHEMBL270227 0.83 EGFR (0.55) EGFRBTKJAK3ITKSYK

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 17 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
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-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 (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 EGFR 335/4885BTK 7/4885JAK3 4/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 EGFR 181/4885BTK 9/4885JAK3 3/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 EGFR 181/4885BTK 9/4885JAK3 3/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 EGFR 181/4885BTK 9/4885JAK3 3/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 EGFR 181/4885BTK 9/4885JAK3 3/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B EGFR 4628/4885BTK 51/4885JAK3 5/4885

“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.