SCHEMBL6797451

SCHEMBL6797451

Nc1cccnc1Nc1cccc(C=Cc2cncnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TLR4 O00206 3/20 0.41
TLR2 O60603 3/20 0.41
NPC1 O15118 4/20 0.39
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
EGFR P00533 5/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PDE10A Q9Y233 1/20 0.38
LMNA P02545 2/20 0.37
AR P10275 1/20 0.37
GRM4 Q14833 2/20 0.36
AHR P35869 1/20 0.36
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL6797443 1.00 CA12 (0.42) CA12CA1CA2CA9TLR4
SCHEMBL6793309 0.91 TLR4 (0.47) CA12CA1CA2CA9TLR4
SCHEMBL6793312 0.91 TLR4 (0.47) CA12CA1CA2CA9TLR4
SCHEMBL6796987 0.87 NPC1 (0.55) CA12CA1CA2CA9TLR4
SCHEMBL6796992 0.87 NPC1 (0.55) CA12CA1CA2CA9TLR4
SCHEMBL6796859 0.87 CYP19A1 (0.47) CA12CA1CA2CA9TLR4
SCHEMBL6796866 0.87 CYP19A1 (0.47) CA12CA1CA2CA9TLR4
SCHEMBL7367401 0.86 NPC1 (0.49) CA12CA1CA2CA9TLR4
SCHEMBL7367405 0.86 NPC1 (0.49) CA12CA1CA2CA9TLR4
SCHEMBL7367396 0.86 NPC1 (0.49) CA12CA1CA2CA9TLR4

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 CA12 2455/4885CA1 3131/4885CA2 571/4885

“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.