SCHEMBL6797777

SCHEMBL6797777

Cc1nc2cccnc2n(-c2cccc(-c3cccc4ccccc34)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 4/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
AKT1 P31749 1/20 0.42
PDE10A Q9Y233 2/20 0.42
ACVR1 Q04771 2/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TP53 P04637 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
SCHEMBL6797775 0.86 CYP1A2 (0.53) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL6798260 0.84 AKT1 (0.41) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL6795968 0.80 MAPT (0.47) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL6797733 0.79 ADRA2A (0.40) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL6797725 0.79 CYP11B1 (0.43) HSD17B10TSHRAKT1PDE10AGAA
SCHEMBL6797046 0.78 ALDH1A1 (0.48) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL6797372 0.78 CYP1A2 (0.48) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL7360638 0.77 CYP3A4 (0.48) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL6793330 0.75 L3MBTL1 (0.46) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL19961691 0.74 AKT1 (0.56) ALDH1A1CYP2C19TSHRAKT1NPSR1

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 ALDH1A1 339/4885CYP1A2 181/4885HSD17B10 117/4885

“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.