SCHEMBL6793042

SCHEMBL6793042

O=C(Nc1ccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)cc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.53
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 8/20 0.51
MAPT P10636 5/20 0.51
MAPK1 P28482 3/20 0.51
NPC1 O15118 6/20 0.46
ALDH1A1 P00352 7/20 0.45
TP53 P04637 2/20 0.45
GFER P55789 1/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL6801992 0.90 EGFR (0.51) AKT1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL6798467 0.85 AKT1 (0.48) AKT1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL6799786 0.85 EGFR (0.49) AKT1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL6792958 0.83 AKT1 (0.50) AKT1MAPTTP53LMNAKMT2A
SCHEMBL6799673 0.83 AKT1 (0.47) AKT1MAPTALDH1A1TP53LMNA
SCHEMBL6803736 0.83 AKT1 (0.49) AKT1MAPTTP53MEN1KMT2A
SCHEMBL6796777 0.82 EGFR (0.49) AKT1MAPTTP53LMNAKDM4E
Hydrochloric Acid SCHEMBL6791483 0.81 AKT1 (0.46) AKT1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL6793041 0.81 MEN1 (0.60) AKT1MAPK1ALDH1A1TP53GFER
SCHEMBL6793498 0.81 USP2 (0.52) AKT1RAB9ASMN1; SMN2MAPTMAPK1

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 1552/4885RAB9A 1092/4885SMN1; SMN2 3337/4885

“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.