SCHEMBL6798260

SCHEMBL6798260

O=c1c(CBr)nc2cccnc2n1-c1cccc(-c2cccc3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.41
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
ACVR1 Q04771 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
GSK3B P49841 2/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
MAPK1 P28482 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
SCHEMBL6805376 0.87 PDE10A (0.42) AKT1PDE10AALDH1A1TSHRCYP2C19
SCHEMBL6795968 0.85 MAPT (0.47) AKT1PDE10AALDH1A1TSHRCYP2C19
SCHEMBL6797777 0.84 ALDH1A1 (0.45) AKT1PDE10AALDH1A1TSHRCYP2C19
SCHEMBL6797733 0.84 ADRA2A (0.40) AKT1PDE10AALDH1A1TSHRCYP2C19
SCHEMBL6797725 0.84 CYP11B1 (0.43) AKT1PDE10ATSHRMAPTGAA
SCHEMBL6795045 0.78 MAPT (0.45) AKT1ALDH1A1TSHRCYP2C19MAPT
SCHEMBL6794097 0.77 NPSR1 (0.41) ALDH1A1TSHRCYP2C19MAPTKDM4E
SCHEMBL6798119 0.76 AKT1 (0.43) AKT1PDE10AALDH1A1TSHRCYP2C19
SCHEMBL6798463 0.75 ALDH1A1 (0.45) AKT1PDE10AALDH1A1TSHRCYP2C19
SCHEMBL7362484 0.75 CYP19A1 (0.48) ALDH1A1TSHRMAPTKDM4ETP53

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 AKT1 1552/4885PDE10A 3821/4885ALDH1A1 339/4885

“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.