SCHEMBL2298345

SCHEMBL2298345

Oc1cc(-c2nc(Nc3ccc4cn[nH]c4c3)c3ccccc3n2)cc(O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.54
TGFBR1 P36897 1/20 0.53
ROCK1 Q13464 4/20 0.51
ABCG2 Q9UNQ0 8/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABCB1 P08183 1/20 0.49
CLK2 P49760 1/20 0.49
BLK P51451 1/20 0.49
CSNK2A1 P68400 1/20 0.49
STK3 Q13188 1/20 0.49
DYRK1A Q13627 1/20 0.49
AURKB Q96GD4 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
STK17A Q9UEE5 1/20 0.49
PKN2 Q16513 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
SCHEMBL2295756 0.92 TGFBR1 (0.64) ROCK2TGFBR1ROCK1ABCG2MEN1
SCHEMBL22201442 0.85 HPGD (0.64) TGFBR1ABCG2MEN1KMT2AMAPT
SCHEMBL2295528 0.82 KDM1A (0.64) ROCK2ABCG2MAPTTP53SMN1; SMN2
SCHEMBL2296338 0.81 ABCG2 (0.70) TGFBR1ABCG2MEN1KMT2AMAPT
SCHEMBL2236290 0.81 ABCG2 (0.52) ABCG2MEN1KMT2AMAPTGAA
SCHEMBL2294276 0.81 ABCG2 (0.78) ABCG2MEN1KMT2AMAPTGAA
SCHEMBL13154697 0.80 TGFBR1 (0.71) ROCK2TGFBR1ROCK1ABCG2MEN1
SCHEMBL29395013 0.80 TGFBR1 (0.71) ROCK2TGFBR1ROCK1ABCG2MEN1
SCHEMBL3589215 0.80 TGFBR1 (0.65) ROCK2TGFBR1ROCK1ABCG2MEN1
SCHEMBL2299801 0.78 ABCG2 (0.74) TGFBR1ABCG2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528606-B1 QUINAZOLINE-BASED T CELL PROLIFERATION INHIBITORS LEVITZKI ALEXANDER (IL) 2014-09-24 EP disclosed
US-8759363-B2 Quinazoline-based T cell proliferation inhibitors YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-06-24 US disclosed
US-20130109706-A1 QUINAZOLINE-BASED T CELL PROLIFERATION INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERSALEM LTD. (IL) 2013-05-02 US disclosed
EP-2528606-A1 QUINAZOLINE-BASED T CELL PROLIFERATION INHIBITORS Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2012-12-05 EP disclosed
WO-2011092695-A1 QUINAZOLINE-BASED T CELL PROLIFERATION INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2011-08-04 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 (1 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-20130109706-A1 QUINAZOLINE-BASED T CELL PROLIFERATION INHIBITORS IL2, CD4, NFATC1 ROCK2 598/4885TGFBR1 4629/4885ROCK1 2127/4885

“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.