SCHEMBL270790

SCHEMBL270790

Cc1cnc(NC(C)(C)C)nc1Nc1ccc(F)c2[nH]ccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.37
TGFBR2 P37173 4/20 0.37
MAPK3 P27361 1/20 0.35
AURKA O14965 2/20 0.34
JAK2 O60674 4/20 0.34
JAK1 P23458 2/20 0.34
CYP3A4 P08684 1/20 0.34
JAK3 P52333 1/20 0.34
STK17A Q9UEE5 4/20 0.33
ROCK1 Q13464 1/20 0.33
BRD4 O60885 1/20 0.33
SYK P43405 1/20 0.32

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
SCHEMBL270659 0.90 SYK (0.37) TGFBR1TGFBR2MAPK3AURKAJAK2
SCHEMBL12111062 0.89 STK17A (0.35) TGFBR1TGFBR2AURKAJAK2JAK1
SCHEMBL17915994 0.87 ULK1 (0.38) TGFBR1TGFBR2AURKAJAK2JAK1
SCHEMBL12320947 0.87 AURKA (0.34) TGFBR1MAPK3AURKAJAK2JAK1
SCHEMBL270500 0.87 AXL (0.36) TGFBR1MAPK3AURKAJAK1JAK3
SCHEMBL13072382 0.84 STK17A (0.37) TGFBR1TGFBR2AURKASTK17AROCK1
SCHEMBL758986 0.84 BRAF (0.41) TGFBR1MAPK3AURKAJAK2JAK1
SCHEMBL270632 0.80 EGFR (0.47) MAPK3JAK2JAK3SYK
SCHEMBL17916006 0.76 SYK (0.39) MAPK3AURKAROCK1SYK
SCHEMBL17915949 0.74 LRRK2 (0.41) AURKAJAK2STK17AROCK1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 TGFBR1 1400/4885TGFBR2 1419/4885MAPK3 152/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 TGFBR1 1929/4885TGFBR2 2060/4885MAPK3 122/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 TGFBR1 1929/4885TGFBR2 2060/4885MAPK3 122/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 TGFBR1 1929/4885TGFBR2 2060/4885MAPK3 122/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B TGFBR1 4626/4885TGFBR2 4428/4885MAPK3 1819/4885

“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.