SCHEMBL6797751

SCHEMBL6797751

O=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(-c2csc(-c3cccnc3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
AKT1 P31749 2/20 0.47
AXL P30530 1/20 0.47
PBRM1 Q86U86 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
HPGDS O60760 1/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6803940 0.88 MAPT (0.51) ALDH1A1AKT1MAPTMAPK1MEN1
SCHEMBL6795145 0.88 LTA4H (0.43) RAB9ANPC1KDM4EALDH1A1AKT1
SCHEMBL6795453 0.85 MAPT (0.45) RAB9AALDH1A1AKT1MAPTMEN1
SCHEMBL6797019 0.84 MAPT (0.48) ALDH1A1AKT1MAPTMAPK1MEN1
SCHEMBL6793355 0.84 AKT1 (0.44) RAB9ANPC1ALDH1A1AKT1MAPT
SCHEMBL6793970 0.84 MAPT (0.48) ALDH1A1AKT1MAPTMAPK1MEN1
SCHEMBL6798163 0.83 MAPT (0.45) RAB9ANPC1ALDH1A1AKT1MAPT
SCHEMBL6796370 0.83 AKT1 (0.48) RAB9AALDH1A1AKT1MAPTUSP2
SCHEMBL6798463 0.83 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1AKT1MAPT
Hydrochloric Acid SCHEMBL6793114 0.83 MAPT (0.47) ALDH1A1AKT1MAPTMAPK1MEN1

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 7 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
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-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP 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 488/4885RAB9A 1092/4885NPC1 875/4885

“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.