SCHEMBL2297357

SCHEMBL2297357

Nc1nc(-c2cc(O)c(O)c(O)c2)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.58
CYP1A1 P04798 5/20 0.58
CYP1B1 Q16678 5/20 0.58
DCPS Q96C86 1/20 0.49
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ATM Q13315 1/20 0.43
ADORA2A P29274 2/20 0.41
ADORA1 P30542 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL1395347 0.81 CYP1A1 (0.77) CYP1A2CYP1A1CYP1B1DCPSMEN1
SCHEMBL29593101 0.81 CYP1A1 (0.77) CYP1A2CYP1A1CYP1B1DCPSMEN1
Hydrochloric Acid SCHEMBL29281621 0.79 CYP1A1 (0.77) CYP1A2CYP1A1CYP1B1DCPSMEN1
SCHEMBL14529287 0.78 CYP1A1 (0.77) CYP1A2CYP1A1CYP1B1DCPSMEN1
SCHEMBL1084305 0.77 SMN1; SMN2 (0.58) CYP1A2CYP1A1CYP1B1DCPSMEN1
SCHEMBL14462692 0.76 CYP1A1 (0.49) CYP1A2CYP1A1CYP1B1DCPSMEN1
SCHEMBL12443214 0.76 CYP1A2 (0.75) CYP1A2CYP1A1CYP1B1DCPSMEN1
SCHEMBL2296338 0.76 ABCG2 (0.70) CYP1A2MEN1KMT2ASMN1; SMN2TP53
SCHEMBL14529164 0.75 CYP1A2 (0.64) CYP1A2CYP1A1CYP1B1DCPSMEN1
SCHEMBL5570074 0.75 CYP1A1 (0.55) CYP1A2CYP1A1CYP1B1DCPSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140316130-A1 USE OF MICROFABRICATED DEVICES HAMMERSMITH IMANET LIMITED (GB) 2014-10-23 US disclosed
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 (2 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 CYP1A2 477/4885CYP1A1 1905/4885CYP1B1 2233/4885
US-20140316130-A1 USE OF MICROFABRICATED DEVICES MPI, MEN1, TMEM14C CYP1A2 3230/4885CYP1A1 2218/4885CYP1B1 1143/4885

“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.