SCHEMBL301779

SCHEMBL301779

CCNc1nccc(Nc2cccc(OC)c2)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.78
ROCK1 Q13464 2/20 0.64
IGF1R P08069 4/20 0.63
KDR P35968 1/20 0.59
PIK3CG P48736 5/20 0.54
PIK3CA P42336 4/20 0.54
PIK3CB P42338 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MKNK1 Q9BUB5 1/20 0.51
EPHB4 P54760 1/20 0.51
SYK P43405 1/20 0.49
ROCK2 O75116 1/20 0.48
PRKACA P17612 1/20 0.48

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
SCHEMBL1377802 0.88 EGFR (1.00) EGFRROCK1IGF1RKDRPIK3CG
SCHEMBL17915954 0.85 EGFR (0.84) EGFRROCK1IGF1RKDRPIK3CG
SCHEMBL31046394 0.84 EGFR (0.92) EGFRROCK1IGF1RKDRPIK3CG
SCHEMBL301341 0.84 MAPT (0.76) EGFRIGF1RKDRPIK3CGPIK3CA
SCHEMBL270162 0.82 EGFR (0.78) EGFRROCK1IGF1RKDRPIK3CG
SCHEMBL12111055 0.82 SYK (0.74) EGFRROCK1IGF1RKDRMAPT
SCHEMBL8348476 0.81 IGF1R (0.60) EGFRROCK1IGF1RKDRMEN1
SCHEMBL1116424 0.80 EGFR (0.83) EGFRROCK1IGF1RKDRPIK3CG
SCHEMBL6976694 0.79 EGFR (0.81) EGFRROCK1IGF1RKDRPIK3CG
SCHEMBL6978657 0.79 EGFR (0.72) EGFRROCK1IGF1RKDRPIK3CG

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-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-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 EGFR 335/4885ROCK1 1345/4885IGF1R 2304/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 EGFR 181/4885ROCK1 1002/4885IGF1R 1237/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 EGFR 181/4885ROCK1 1002/4885IGF1R 1237/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 EGFR 181/4885ROCK1 1002/4885IGF1R 1237/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B EGFR 4628/4885ROCK1 2298/4885IGF1R 3361/4885

“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.