SCHEMBL2171276

SCHEMBL2171276

COc1ccc2nc(O)nc(O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
POLB P06746 4/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 3/20 0.47
NQO2 P16083 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
APP P05067 2/20 0.45
HTT P42858 1/20 0.45
PLA2G2A P14555 1/20 0.44
RAD52 P43351 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DHODH Q02127 1/20 0.44

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
SCHEMBL2174621 0.86 MPO (0.47) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL7813833 0.84 KDM4E (0.53) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL31202573 0.84 KDM4E (0.53) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL15502284 0.83 NPC1 (0.51) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL2154750 0.83 DHODH (0.48) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL27248730 0.81 KMT2A (0.46) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL21707866 0.81 HSD17B10 (0.54) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL29793573 0.81 HSD17B10 (0.54) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL24108922 0.79 KDM4E (0.55) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL31283944 0.79 HPGD (0.51) KDM4EPOLBHSD17B10ALDH1A1HPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
EP-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 US disclosed
EP-2227460-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-15 EP disclosed
WO-2010038060-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038060-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 WO disclosed
EP-1230225-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-08-14 EP disclosed
WO-2001032632-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-10 WO disclosed
US-5064833-A Substituted quinazoline derivatives for use in gastrointestinal diseases SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) 1991-11-12 US disclosed
EP-0322133-B1 QUINAZOLINE DERIVATIVES SmithKline Beecham Intercredit B.V. (NL) 1991-05-22 EP disclosed
EP-0322133-A1 Quinazoline derivatives SmithKline Beecham Intercredit B.V. (NL) 1989-06-28 EP disclosed
WO-1989005297-A1 COMPOUNDS SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-06-15 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-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CHEK2, CHEK1, PLK1 KDM4E 1238/4885POLB 96/4885HSD17B10 3202/4885
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS JAK2, JAK1, JAK3 KDM4E 844/4885POLB 2062/4885HSD17B10 2869/4885

“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.