SCHEMBL386070

SCHEMBL386070

[c]1ccncc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 1/20 0.41
NOTUM Q6P988 1/20 0.41
TNF P01375 1/20 0.40
ATM Q13315 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CYP19A1 P11511 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL10965014 0.85 CYP2A6 (0.56) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL7875042 0.84 MAPT (0.43) CYP2A6ALDH1A1CYP3A4CYP1A2NOTUM
SCHEMBL27968877 0.84 LTA4H (0.45) RAB9ANPC1CYP19A1TP53LMNA
SCHEMBL363148 0.79 GAA (0.41) CYP2A6ALDH1A1KDM4ERAB9ANPC1
SCHEMBL27928339 0.79 PRKCZ (0.42) ALDH1A1CYP3A4KDM4EHPGDHSD17B10
SCHEMBL28636718 0.79 NOTUM (0.42) ALDH1A1NOTUMKDM4EHPGDRAB9A
SCHEMBL28642520 0.79 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1CYP19A1SMN1; SMN2
SCHEMBL5544009 0.77 IDO1 (0.44) CYP3A4NOTUMKDM4ETP53IDO1
SCHEMBL6349778 0.74 CYP2A6 (0.48) CYP2A6ALDH1A1CYP1A2ATMKDM4E
SCHEMBL9958246 0.74 CYP2A6 (0.52) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 CN disclosed
US-11918568-B2 Fused ring compound having urea structure Sanford Burnham Prebys Medical Discovery Institute (US) 2024-03-05 US disclosed
EP-3818053-B1 FUSED RING COMPOUND HAVING UREA STRUCTURE SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2023-03-29 EP disclosed
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2021-11-25 US disclosed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 EP disclosed
WO-2021079915-A1 TRIAZINE COMPOUND HAVING PYRIDYL GROUP AND PYRIDINE COMPOUND 東ソー株式会社 2021-04-29 WO disclosed
CN-112654608-A Condensed ring compounds having urea structure 桑福德伯纳姆普利斯医学发现研究所 2021-04-13 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP disclosed
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP disclosed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5616579-A ADMINISTERING TO MAMMALS TO PREVENT GASTRIC ULCER SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed
EP-0562833-B1 Anti-ulcer pyridyloxy derivatives, their preparation and uses SANKYO CO (JP) 1996-05-08 EP disclosed
CN-1081437-A Antiulcer pyridine oxygen derivative, their preparation method and purposes SANKYO CO (JP) 1994-02-02 CN disclosed
EP-0562833-A1 Anti-ulcer pyridyloxy derivatives, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-09-29 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 (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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CYP2A6 956/4885ALDH1A1 129/4885CYP3A4 648/4885
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, ABAT CYP2A6 3800/4885ALDH1A1 1751/4885CYP3A4 3761/4885
US-11918568-B2 Fused ring compound having urea structure NAMPT, NME4, ABAT CYP2A6 3800/4885ALDH1A1 1751/4885CYP3A4 3761/4885

“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.