SCHEMBL6797733

SCHEMBL6797733

O=c1c(Cc2ncc[nH]2)nc2cccnc2n1-c1cccc(-c2cccc3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
AKT1 P31749 2/20 0.37
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
CYP2C19 P33261 3/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PRKCB P05771 2/20 0.35
PRKCA P17252 2/20 0.35
GSK3B P49841 2/20 0.35
ACVR1 Q04771 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 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
SCHEMBL6802904 0.89 CYP2C19 (0.41) ADRA2AADRA2BADRA2CAKT1PDE10A
SCHEMBL6798260 0.84 AKT1 (0.41) AKT1PDE10AALDH1A1TSHRCYP2C19
SCHEMBL6795968 0.83 MAPT (0.47) AKT1PDE10AALDH1A1TSHRCYP2C19
SCHEMBL6799420 0.82 PDE4B (0.38) ADRA2AADRA2BADRA2CAKT1ALDH1A1
SCHEMBL6798737 0.80 NPSR1 (0.37) ALDH1A1TSHRCYP2C19USP2CYP1A2
SCHEMBL6797777 0.79 ALDH1A1 (0.45) AKT1PDE10AALDH1A1TSHRCYP2C19
SCHEMBL6797725 0.79 CYP11B1 (0.43) AKT1PDE10ATSHRHSD17B10PDE4A
SCHEMBL6795045 0.76 MAPT (0.45) AKT1ALDH1A1TSHRCYP2C19USP2
SCHEMBL6793355 0.76 AKT1 (0.44) AKT1ALDH1A1TSHRCYP2C19USP2
SCHEMBL6955008 0.76 EGFR (0.40) AKT1POLBMAPTKDM4ETP53

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 ADRA2A 41/4885ADRA2B 17/4885ADRA2C 38/4885

“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.