SCHEMBL6799062

SCHEMBL6799062

Nc1cccnc1Nc1cccc(/C=C/c2ccc3ccccc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.51
CYSLTR1 Q9Y271 8/20 0.51
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
PKM P14618 1/20 0.49
RHOA P61586 1/20 0.44
PDE10A Q9Y233 1/20 0.43
GLA P06280 2/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP3 P42574 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
SCHEMBL6799069 1.00 CYSLTR2 (0.51) CYSLTR2CYSLTR1RAB9ANPC1KDM4E
SCHEMBL6793402 0.85 MAPT (0.46) RAB9ANPC1LMNARHOAPDE10A
SCHEMBL6793401 0.85 MAPT (0.46) RAB9ANPC1LMNARHOAPDE10A
SCHEMBL6799851 0.85 NPC1 (0.50) RAB9ANPC1LMNAPDE10AMAPT
SCHEMBL6799845 0.85 NPC1 (0.50) RAB9ANPC1LMNAPDE10AMAPT
SCHEMBL6796859 0.83 CYP19A1 (0.47) RAB9ANPC1KDM4ELMNAPDE10A
SCHEMBL6796866 0.83 CYP19A1 (0.47) RAB9ANPC1KDM4ELMNAPDE10A
SCHEMBL6958813 0.82 NPC1 (0.56) CYSLTR2CYSLTR1RAB9ANPC1KDM4E
SCHEMBL6958808 0.82 NPC1 (0.56) CYSLTR2CYSLTR1RAB9ANPC1KDM4E
SCHEMBL6796987 0.78 NPC1 (0.55) RAB9ANPC1LMNAPDE10AMAPT

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 CYSLTR2 750/4885CYSLTR1 878/4885RAB9A 1092/4885

“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.