SCHEMBL6802897

SCHEMBL6802897

O=c1c(Cn2ccnc2)nc2cccnc2n1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.47
CYP11B2 P19099 8/20 0.47
PDE4A P27815 2/20 0.45
CYP17A1 P05093 1/20 0.42
GAA P10253 1/20 0.41
CYP19A1 P11511 5/20 0.41
TSHR P16473 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6797725 0.89 CYP11B1 (0.43) CYP11B1CYP11B2PDE4ACYP17A1GAA
SCHEMBL6799410 0.87 CYP11B1 (0.46) CYP11B1CYP11B2PDE4ACYP19A1TSHR
SCHEMBL6798715 0.84 NPSR1 (0.37) CYP11B1CYP11B2PDE4ACYP19A1TSHR
SCHEMBL6805376 0.82 PDE10A (0.42) PDE4AGAATSHRPDE4BPDE4C
SCHEMBL7394048 0.82 CYP19A1 (0.45) CYP11B1CYP11B2CYP19A1TSHRPDE4B
SCHEMBL6798463 0.81 ALDH1A1 (0.45) PDE4ATSHRPDE4BPDE4CPDE4D
SCHEMBL8794050 0.81 PDE4A (0.50) PDE4ATSHRPDE4BPDE4CPDE4D
SCHEMBL6798163 0.80 MAPT (0.45) PDE4AGAATSHRPDE4BPDE4C
SCHEMBL6793627 0.79 PDE4B (0.41) PDE4ATSHRPDE4BPDE4CPDE4D
SCHEMBL6797233 0.79 ALDH1A1 (0.43) PDE4AGAATSHRPDE4BPDE4C

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 CYP11B1 30/4885CYP11B2 28/4885PDE4A 4399/4885

“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.