SCHEMBL6802904

SCHEMBL6802904

O=c1c(Cc2ncc[nH]2)nc2cccnc2n1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 9/20 0.41
USP2 O75604 8/20 0.41
CYP1A2 P05177 8/20 0.41
CYP2C9 P11712 7/20 0.41
CYP3A4 P08684 7/20 0.41
ALDH1A1 P00352 7/20 0.41
TSHR P16473 7/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP2D6 P10635 3/20 0.41
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE10A Q9Y233 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MAPK1 P28482 3/20 0.36
AKT1 P31749 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CASP1 P29466 3/20 0.36

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
SCHEMBL6797733 0.89 ADRA2A (0.40) CYP2C19USP2CYP1A2CYP2C9CYP3A4
SCHEMBL6799420 0.87 PDE4B (0.38) CYP2C19USP2CYP1A2CYP2C9CYP3A4
SCHEMBL6798463 0.85 ALDH1A1 (0.45) CYP2C19USP2CYP1A2CYP2C9CYP3A4
SCHEMBL6798737 0.84 NPSR1 (0.37) CYP2C19USP2CYP1A2CYP2C9CYP3A4
SCHEMBL6793355 0.82 AKT1 (0.44) CYP2C19USP2CYP1A2CYP2C9CYP3A4
SCHEMBL6805376 0.82 PDE10A (0.42) CYP2C19USP2CYP1A2CYP2C9CYP3A4
SCHEMBL6798163 0.82 MAPT (0.45) CYP2C19USP2CYP1A2CYP2C9CYP3A4
SCHEMBL6797019 0.81 MAPT (0.48) CYP2C19USP2CYP1A2CYP2C9CYP3A4
SCHEMBL6797537 0.81 ALDH1A1 (0.44) CYP2C19USP2CYP1A2CYP2C9CYP3A4
SCHEMBL8794050 0.81 PDE4A (0.50) CYP2C19USP2CYP1A2CYP2C9CYP3A4

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 CYP2C19 125/4885USP2 3624/4885CYP1A2 181/4885

“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.