SCHEMBL7216241

SCHEMBL7216241

O=[N+]([O-])c1c(Cl)nc(-c2ccccc2)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.49
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ABCG2 Q9UNQ0 6/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
OPRK1 P41145 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40

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
SCHEMBL1582117 0.89 KMT2A (0.54) KMT2AMEN1HTTLMNAMAPT
SCHEMBL7217092 0.85 ABCG2 (0.43) KMT2AMEN1HTTLMNAMAPT
SCHEMBL1582478 0.82 PTGS2 (0.40) KMT2AMEN1HTTLMNAMAPT
SCHEMBL25680046 0.80 HPRT1 (0.49) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL7210897 0.78 S100A4 (0.47) KMT2AMEN1NPC1RAB9AABCG2
SCHEMBL1512032 0.77 KMT2A (0.55) KMT2AMEN1HTTLMNAMAPT
SCHEMBL1164006 0.76 PIN1 (0.57) KMT2AMEN1HTTMAPTNPC1
SCHEMBL9320625 0.76 KMT2A (0.46) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL27844725 0.75 ALDH1A1 (0.59) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL1839553 0.74 ALDH1A1 (0.44) KMT2AMEN1RAB9AALDH1A1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738717-A1 Certain substituted pyrimidines as intermediates for production of cycloalkyl and azacycloalkyl pyrrolopyrimidines NEUROGEN CORPORATION (US) 1996-10-23 EP claimed
US-9353115-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2016-05-31 US disclosed
US-9353115-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2016-05-31 US disclosed
US-9353115-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2016-05-31 US disclosed
EP-2713737-B1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS INC (US) 2016-04-20 EP disclosed
EP-2713737-B1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS INC (US) 2016-04-20 EP disclosed
US-20140107115-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-04-17 US disclosed
US-20140107115-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-04-17 US disclosed
US-20140107115-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-04-17 US disclosed
WO-2012167053-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2012-12-06 WO disclosed
EP-0738717-A1 Certain substituted pyrimidines as intermediates for production of cycloalkyl and azacycloalkyl pyrrolopyrimidines NEUROGEN CORPORATION (US) 1996-10-23 EP disclosed
US-5463054-A Diagnosis and treatment of anxiety, sleep, seizure disorders, overdose with benzodiazepine drugs, enhancement of memory NEUROGEN CORPORATION (US) 1995-10-31 US disclosed
WO-1994025463-A1 CERTAIN ARYL FUSED PYRROLOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-10 WO disclosed
US-5326868-A Treatment of sleep disorders, anxiety, seizures, memory NEUROGEN CORPORATION (US) 1994-07-05 US disclosed
EP-0552237-A1 CERTAIN CYCLOALKYL AND AZACYCLOALKYL PYRROLOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-07-28 EP disclosed
US-5216159-A Preferential antagonists, agonists or inverse agonists for gamma-aminobutyric acid binding sites; anxiolytic agents; anticonvulsants; treatment of sleep disorders NEUROGEN CORPORATION (US) 1993-06-01 US disclosed
WO-1992006094-A1 CERTAIN CYCLOALKYL AND AZACYCLOALKYL PYRROLOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-04-16 WO disclosed
EP-0112280-B1 2-ARYL-4,6-DIHALOGEN PYRIMIDINES AS ANTIDOTES FOR PROTECTING CULTIVATED PLANTS BEFORE PHYTOTOXIC DAMAGE CAUSED BY A HERBICIDE CIBA-GEIGY AG (CH) 1990-08-29 EP disclosed
US-4648896-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1987-03-10 US disclosed
EP-0112280-A2 2-Aryl-4,6-dihalogen pyrimidines as antidotes for protecting cultivated plants before phytotoxic damage caused by a herbicide CIBA-GEIGY AG (CH) 1984-06-27 EP 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-20140107115-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 KMT2A 1778/4885MEN1 1819/4885HTT 2763/4885

“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.