SCHEMBL6798219

SCHEMBL6798219

O=c1c(Cc2cccnc2)nc2cccnc2n1-c1cccc(-c2ccc(Cl)s2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
AKT1 P31749 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.37
USP2 O75604 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4B Q07343 3/20 0.35
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
GRIN1 Q05586 1/20 0.35

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
SCHEMBL6798265 0.92 PDE4B (0.40) AKT1MAPTKDM4EUSP2CYP3A4
SCHEMBL6796370 0.86 AKT1 (0.48) AKT1MAPTUSP2CYP3A4CYP1A2
SCHEMBL6797208 0.86 MAPT (0.42) CYP2A6AKT1MAPTKDM4EUSP2
SCHEMBL6797019 0.85 MAPT (0.48) AKT1MAPTUSP2CYP3A4CYP1A2
SCHEMBL6793970 0.84 MAPT (0.48) AKT1MAPTUSP2CYP3A4CYP1A2
SCHEMBL6795453 0.83 MAPT (0.45) CYP2A6AKT1MAPTUSP2CYP3A4
Hydrochloric Acid SCHEMBL6793114 0.83 MAPT (0.47) AKT1MAPTUSP2CYP3A4CYP1A2
SCHEMBL6792402 0.83 AKT1 (0.45) AKT1MAPTUSP2CYP3A4CYP1A2
SCHEMBL6797809 0.82 AKT1 (0.41) CYP2A6AKT1MAPTUSP2CYP3A4
SCHEMBL6796737 0.82 MAPT (0.46) CYP2A6AKT1MAPTUSP2CYP3A4

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 6 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
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 CYP2A6 49/4885AKT1 1552/4885MAPT 4677/4885

“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.