SCHEMBL270784

SCHEMBL270784

CC(=O)Nc1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 5/20 0.47
AURKA O14965 2/20 0.43
MAPK1 P28482 2/20 0.41
MAP2K1 Q02750 1/20 0.41
EGFR P00533 5/20 0.40
BTK Q06187 3/20 0.40
JAK3 P52333 1/20 0.40
ITK Q08881 2/20 0.40
SYK P43405 1/20 0.40
SCN9A Q15858 2/20 0.40
JAK1 P23458 1/20 0.40
HDAC1 Q13547 1/20 0.40
PKMYT1 Q99640 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL306630 0.89 EGFR (0.42) MAPK3AURKAMAPK1MAP2K1EGFR
SCHEMBL270219 0.84 TP53 (0.43) MAPK3AURKASYK
SCHEMBL10261580 0.84 EGFR (0.45) MAPK3AURKAMAPK1MAP2K1EGFR
SCHEMBL270504 0.83 MAPK8 (0.47) MAPK3AURKAJAK3SYKJAK1
SCHEMBL12279068 0.83 ALDH1A1 (0.44) MAPK3AURKAMAPK1MAP2K1BTK
SCHEMBL270239 0.81 EGFR (0.58) EGFRBTKJAK3ITKSYK
SCHEMBL263570 0.81 ALDH1A1 (0.42) MAPK3AURKAMAPK1MAP2K1SCN9A
SCHEMBL270260 0.79 AURKA (0.45) MAPK3AURKAPKMYT1ALDH1A1
SCHEMBL270785 0.79 MAPK3 (0.52) MAPK3AURKAJAK3SYK
SCHEMBL270620 0.77 ULK1 (0.54) MAPK3AURKAEGFRSYKALDH1A1

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 13 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-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-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
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 MAPK3 152/4885AURKA 745/4885MAPK1 356/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 MAPK3 122/4885AURKA 75/4885MAPK1 298/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 MAPK3 122/4885AURKA 75/4885MAPK1 298/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 MAPK3 122/4885AURKA 75/4885MAPK1 298/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 MAPK3 122/4885AURKA 75/4885MAPK1 298/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B MAPK3 1819/4885AURKA 3934/4885MAPK1 2410/4885

“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.