SCHEMBL12339136

SCHEMBL12339136

Cc1ccc(-c2cccc(-c3cccnc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.69
CYP3A4 P08684 2/20 0.59
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 4/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KARS1 Q15046 1/20 0.54
CYP19A1 P11511 1/20 0.51
ABL1 P00519 2/20 0.50
BCR P11274 2/20 0.50
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49

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
SCHEMBL3194702 0.87 CYP2A6 (0.74) CYP2A6CYP3A4RAB9ANPC1ALDH1A1
SCHEMBL15749895 0.86 CYP19A1 (0.67) CYP2A6CYP3A4RAB9ANPC1ALDH1A1
SCHEMBL18905222 0.85 CYP19A1 (0.69) CYP2A6CYP3A4RAB9ANPC1ALDH1A1
SCHEMBL16871021 0.84 CYP19A1 (0.74) CYP2A6CYP3A4RAB9ANPC1ALDH1A1
SCHEMBL9973774 0.84 CYP2A6 (0.61) CYP2A6CYP3A4RAB9AALDH1A1TP53
SCHEMBL12925590 0.84 CYP19A1 (0.68) CYP2A6CYP3A4RAB9AALDH1A1KARS1
SCHEMBL19164443 0.83 CYP2A6 (0.56) CYP2A6CYP3A4RAB9ANPC1ALDH1A1
SCHEMBL3421833 0.82 KMT2A (0.59) RAB9ANPC1ALDH1A1NFKB1NFKB2
SCHEMBL12925671 0.82 CYP2A6 (0.69) CYP2A6CYP3A4NPC1ALDH1A1KARS1
SCHEMBL18745707 0.82 CYP2A6 (0.59) CYP2A6CYP3A4RAB9AALDH1A1KARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141158-B1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT TOSOH CORP (JP) 2014-05-07 EP disclosed
US-8569485-B2 Phenyl-substituted 1,3,5-triazine compound, process for producing the same, and organic electroluminescent device containing the same as component TOSOH CORPORATION (JP) 2013-10-29 US disclosed
US-8569485-B2 Phenyl-substituted 1,3,5-triazine compound, process for producing the same, and organic electroluminescent device containing the same as component TOSOH CORPORATION (JP) 2013-10-29 US disclosed
US-20120313090-A1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2012-12-13 US disclosed
US-20120313090-A1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2012-12-13 US disclosed
US-8268997-B2 Phenyl-substituted 1,3,5-triazine compound, process for producing the same, and organic electroluminescent device containing the same as component TOSOH CORPORATION (JP) 2012-09-18 US disclosed
US-8268997-B2 Phenyl-substituted 1,3,5-triazine compound, process for producing the same, and organic electroluminescent device containing the same as component TOSOH CORPORATION (JP) 2012-09-18 US disclosed
US-20100249406-A1 PHENYL-SUBSTITUTED 1,3.5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT TOSOH CORPORATION (JP) 2010-09-30 US disclosed
US-20100249406-A1 PHENYL-SUBSTITUTED 1,3.5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT TOSOH CORPORATION (JP) 2010-09-30 US disclosed
EP-2141158-A1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT Tosoh Corporation (JP) 2010-01-06 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-20100249406-A1 PHENYL-SUBSTITUTED 1,3.5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT H1-5, H1-4, H1-2 CYP2A6 2269/4885CYP3A4 358/4885RAB9A 4196/4885

“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.