SCHEMBL6796133

SCHEMBL6796133

O=C(NC(=S)Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
EGFR P00533 1/20 0.47
BTK Q06187 1/20 0.47
ITK Q08881 1/20 0.47
AKT1 P31749 1/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 2/20 0.46
ALOX12 P18054 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MMP9 P14780 1/20 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
SCHEMBL6792958 0.91 AKT1 (0.50) EGFRBTKITKAKT1LMNA
SCHEMBL6797047 0.90 EGFR (0.49) ALDH1A1EGFRBTKITKAKT1
SCHEMBL6796777 0.90 EGFR (0.49) EGFRBTKITKAKT1LMNA
SCHEMBL6793037 0.87 EGFR (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2EGFR
SCHEMBL6797148 0.86 EGFR (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2EGFR
SCHEMBL6803889 0.86 EGFR (0.48) ALDH1A1SMN1; SMN2EGFRBTKITK
SCHEMBL6798467 0.86 AKT1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2EGFR
SCHEMBL6794031 0.86 EGFR (0.51) ALDH1A1SMN1; SMN2EGFRBTKITK
SCHEMBL6799786 0.85 EGFR (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2EGFR
SCHEMBL6801992 0.85 EGFR (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2EGFR

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 339/4885RAB9A 1092/4885NPC1 875/4885

“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.