SCHEMBL6794596

SCHEMBL6794596

O=C(c1ccccc1)c1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
VNN1 O95497 1/20 0.41
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41
ITK Q08881 1/20 0.41
TP53 P04637 3/20 0.41
GRM2 Q14416 1/20 0.40
PDE7A Q13946 1/20 0.40
LMNA P02545 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
SCHEMBL6796597 0.93 AKT1 (0.47) AKT1ALDH1A1USP2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6792410 0.91 AKT1 (0.43) AKT1ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL6796416 0.87 ALDH1A1 (0.46) AKT1ALDH1A1RXFP1EGFRBTK
SCHEMBL6799786 0.87 EGFR (0.49) AKT1ALDH1A1MAPTRXFP1EGFR
SCHEMBL6793688 0.86 EGFR (0.38) AKT1ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL6797019 0.86 MAPT (0.48) AKT1ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL6797352 0.86 AKT1 (0.48) AKT1ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL6794743 0.85 EGFR (0.51) AKT1ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL6793970 0.85 MAPT (0.48) AKT1ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL6804551 0.85 AKT1 (0.49) AKT1ALDH1A1USP2CYP1A2CYP3A4

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 AKT1 1552/4885ALDH1A1 339/4885USP2 3624/4885

“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.