SCHEMBL6796987

SCHEMBL6796987

Nc1cccnc1Nc1cccc(/C=C/c2ccncc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
MAPT P10636 2/20 0.55
GFER P55789 1/20 0.55
KDM1A O60341 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TLR4 O00206 3/20 0.41
TLR2 O60603 3/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PDE10A Q9Y233 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
SCHEMBL6796992 1.00 NPC1 (0.55) NPC1MAPTGFERKDM1ACA12
SCHEMBL7367405 0.94 NPC1 (0.49) NPC1MAPTGFERKDM1ACA12
SCHEMBL7367396 0.94 NPC1 (0.49) NPC1MAPTGFERKDM1ACA12
SCHEMBL7367401 0.94 NPC1 (0.49) NPC1MAPTGFERKDM1ACA12
SCHEMBL6796866 0.92 CYP19A1 (0.47) NPC1MAPTGFERCA12CA1
SCHEMBL6796859 0.92 CYP19A1 (0.47) NPC1MAPTGFERCA12CA1
SCHEMBL6793312 0.88 TLR4 (0.47) NPC1MAPTGFERCA12CA1
SCHEMBL6793309 0.88 TLR4 (0.47) NPC1MAPTGFERCA12CA1
SCHEMBL6797443 0.87 CA12 (0.42) NPC1MAPTGFERKDM1ACA12
SCHEMBL6797451 0.87 CA12 (0.42) NPC1MAPTGFERKDM1ACA12

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 10 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
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN 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 NPC1 875/4885MAPT 4677/4885GFER 1027/4885

“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.