SCHEMBL6798593

SCHEMBL6798593

O=[N+]([O-])c1cccnc1Nc1cccc(-c2csc(-c3cccnc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.53
AXL P30530 1/20 0.53
PBRM1 Q86U86 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
NPC1 O15118 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
BCR P11274 1/20 0.48
SRC P12931 1/20 0.48
PRKCA P17252 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6798852 0.85 MAPT (0.49) NPC1L3MBTL1RAB9AKDM4EALDH1A1
SCHEMBL6796955 0.84 ABCG2 (0.53) NPC1L3MBTL1CYP1A2RAB9AALDH1A1
SCHEMBL6796930 0.83 CYP19A1 (0.55) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6804723 0.79 CSNK2A1 (0.60) NPC1L3MBTL1CYP1A1CYP1A2CYP1B1
SCHEMBL6795443 0.79 MAPT (0.53) NPC1L3MBTL1RAB9AALDH1A1ABL1
SCHEMBL6804280 0.78 CYP19A1 (0.68) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6798244 0.78 MAPT (0.52) NPC1L3MBTL1RAB9AALDH1A1ABL1
Bromide SCHEMBL7079674 0.77 CYP19A1 (0.66) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6797321 0.76 MAPT (0.55) NPC1L3MBTL1RAB9AALDH1A1EGFR
SCHEMBL6791419 0.76 MAPT (0.60) NPC1L3MBTL1RAB9AALDH1A1MAPT

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 9 patents. 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
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
CN-1250776-A Heterodicyclic compound derivatives 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
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO 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 CYP19A1 488/4885AXL 2681/4885PBRM1 537/4885

“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.