SCHEMBL2295528

SCHEMBL2295528

COc1cc(-c2nc(Nc3ccc4cn[nH]c4c3)c3ccccc3n2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.64
ABCG2 Q9UNQ0 16/20 0.61
ABCB1 P08183 11/20 0.61
ABCC1 P33527 5/20 0.61
RET P07949 1/20 0.53
KDR P35968 1/20 0.53
ROCK2 O75116 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL2294296 0.92 KDM1A (0.64) KDM1AABCG2ABCB1ABCC1ROCK2
SCHEMBL16404294 0.83 ABCG2 (0.86) KDM1AABCG2ABCB1ABCC1TP53
SCHEMBL2232737 0.83 KDM1A (0.81) KDM1AABCG2ABCB1ABCC1TP53
SCHEMBL2231200 0.82 KDM1A (0.64) KDM1AABCG2ABCB1ABCC1TP53
SCHEMBL2298345 0.82 ROCK2 (0.54) ABCG2ABCB1ROCK2TP53MAPT
SCHEMBL22201442 0.81 HPGD (0.64) ABCG2ABCB1ABCC1MAPTSMN1; SMN2
SCHEMBL2233032 0.81 KDM1A (0.78) KDM1AABCG2ABCB1ABCC1TP53
SCHEMBL2232368 0.81 KDM1A (0.78) KDM1AABCG2ABCB1ABCC1TP53
SCHEMBL2232116 0.80 ABCG2 (0.81) KDM1AABCG2ABCB1ABCC1TP53
SCHEMBL2231161 0.80 KDM1A (0.77) KDM1AABCG2ABCB1ABCC1TP53

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 KDM1A 2957/4885ABCG2 2405/4885ABCB1 853/4885

“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.