SCHEMBL6796712

SCHEMBL6796712

Nc1cccc(/C=C/c2ccc3ccccc3n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.68
CYSLTR1 Q9Y271 4/20 0.68
RAB9A P51151 7/20 0.68
NPC1 O15118 7/20 0.68
KDM4E B2RXH2 5/20 0.68
LMNA P02545 3/20 0.68
PKM P14618 2/20 0.68
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP19A1 P11511 2/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
GLA P06280 2/20 0.56
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL6796716 1.00 CYSLTR2 (0.68) CYSLTR2CYSLTR1RAB9ANPC1KDM4E
SCHEMBL8783516 0.84 NPC1 (0.54) CYSLTR2CYSLTR1RAB9ANPC1KDM4E
SCHEMBL8783525 0.84 NPC1 (0.54) CYSLTR2CYSLTR1RAB9ANPC1KDM4E
SCHEMBL8783716 0.84 CYSLTR1 (0.54) CYSLTR2CYSLTR1RAB9ANPC1KDM4E
SCHEMBL8746348 0.84 CYSLTR1 (0.54) CYSLTR2CYSLTR1RAB9ANPC1KDM4E
SCHEMBL8107515 0.83 CYSLTR2 (0.70) CYSLTR2CYSLTR1RAB9ANPC1KDM4E
SCHEMBL8107518 0.83 CYSLTR2 (0.70) CYSLTR2CYSLTR1RAB9ANPC1KDM4E
SCHEMBL1899506 0.82 RAB9A (0.74) CYSLTR2CYSLTR1RAB9ANPC1KDM4E
SCHEMBL1899504 0.82 RAB9A (0.74) CYSLTR2CYSLTR1RAB9ANPC1KDM4E
SCHEMBL12884278 0.82 RAB9A (0.73) CYSLTR2CYSLTR1RAB9ANPC1KDM4E

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-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0863876-B1 QUINOLINE DERIVATIVES CONTAINING A DIOL AS LEUKOTRIENE ANTAGONISTS LEO PHARM PROD LTD (DK) 2002-01-30 EP disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0863876-A1 QUINOLINE DERIVATIVES CONTAINING A DIOL AS LEUKOTRIENE ANTAGONISTS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1998-09-16 EP disclosed
WO-1997019925-A9 QUINOLINE DERIVATIVES CONTAINING A DIOL AS LEUKOTRIENE ANTAGONISTS 1998-04-23 WO disclosed
WO-1997019925-A1 QUINOLINE DERIVATIVES CONTAINING A DIOL AS LEUKOTRIENE ANTAGONISTS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1997-06-05 WO disclosed
EP-0773931-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1997-05-21 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996002506-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1996-02-01 WO disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO disclosed
EP-0228959-B1 AMINOSTYRYL COMPOUND, LEUKOTRIENE ANTAGONISTIC COMPOSITION CONTAINING THE SAME AS EFFECTIVE INGREDIENTS AND METHOD OF ANTAGONIZING SRS BY EMPLOYING THE SAME MITSUBISHI KASEI CORPORATION (JP) 1992-03-18 EP disclosed
US-4962203-A ANTIASTHMATIC, ANTIALLERGENIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROST CANADA, INC. (CA) 1990-10-09 US disclosed
US-4749701-A Aminostyryl compound, leukotriene antagonistic composition containing the same as effective ingredients and method of antagonizing SRS by employing the same MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1988-06-07 US disclosed
EP-0228959-A2 Aminostyryl compound, leukotriene antagonistic composition containing the same as effective ingredients and method of antagonizing SRS by employing the same MITSUBISHI KASEI CORPORATION (JP) 1987-07-15 EP disclosed
EP-0206751-A2 2-Substituted quinolines, their preparation and use MERCK FROSST CANADA INC. (CA) 1986-12-30 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 CYSLTR2 750/4885CYSLTR1 878/4885RAB9A 1092/4885

“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.