SCHEMBL503719

SCHEMBL503719

c1ccc(-c2cnn[nH]2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
LMNA P02545 4/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
METAP2 P50579 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43

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
SCHEMBL14847366 0.85 NPY5R (0.46) KDM4ELMNACCR1CCR5CCR8
Benzene SCHEMBL27860148 0.78 NPY5R (0.37) KDM4ELMNACCR1CCR5CCR8
SCHEMBL59230 0.77
SCHEMBL23641148 0.77 MEN1 (0.36) KDM4ELMNACCR1CCR5CCR8
Biphenyl SCHEMBL27847762 0.76 NPY5R (0.44) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL1492471 0.75 KDM4E (0.32) KDM4ELMNACCR1CCR5CCR8
Methane SCHEMBL29087179 0.75 KDM4E (0.32) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27622904 0.75 KDM4E (0.32) KDM4ELMNACCR1CCR5CCR8
Water SCHEMBL27271178 0.75 KDM4E (0.32) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1703342 0.72 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157827-A1 IL-17A MODULATORS SANOFI (FR) 2023-04-05 EP disclosed
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-9266906-B2 Copper(I) complexes for optoelectronic devices CYNORA GMBH (DE) 2016-02-23 US disclosed
US-9266906-B2 Copper(I) complexes for optoelectronic devices CYNORA GMBH (DE) 2016-02-23 US disclosed
EP-2729477-B1 COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2016-01-20 EP disclosed
US-20140235006-A1 COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-21 US disclosed
US-20120025177-A1 Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand SOLVAY SA (BE) 2012-02-02 US disclosed
CN-102307886-A Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand PUSAN NAT UNIV IND COOP FOUND 2012-01-04 CN disclosed
EP-2393820-A1 PHOSPHORESCENT LIGHT-EMITTING IRIDIUM COMPLEX CONTAINING PYRIDYLTRIAZOLE LIGAND Solvay SA (BE) 2011-12-14 EP disclosed
US-8062767-B2 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2011-11-22 US disclosed
US-8062767-B2 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2011-11-22 US disclosed
US-8062767-B2 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2011-11-22 US disclosed
WO-2010090362-A1 PHOSPHORESCENT LIGHT-EMITTING IRIDIUM COMPLEX CONTAINING PYRIDYLTRIAZOLE LIGAND PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2010-08-12 WO disclosed
US-20080217606-A1 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2008-09-11 US disclosed
US-20080217606-A1 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2008-09-11 US disclosed
US-20080217606-A1 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2008-09-11 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 (3 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-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDM4E 3322/4885LMNA 4266/4885CCR1 4531/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDM4E 3322/4885LMNA 4266/4885CCR1 4531/4885
US-20120025177-A1 Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand PPIP5K2, HPRT1, PHPT1 KDM4E 3651/4885LMNA 3730/4885CCR1 3890/4885

“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.