SCHEMBL6799735

SCHEMBL6799735

O=c1c(Cc2cccnc2)nc2cccnc2n1-c1cccc(/C=C/c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.40
CYP21A2 P08686 1/20 0.40
CYP11B1 P15538 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HKDC1 Q2TB90 2/20 0.40
RAD1 O60671 1/20 0.40
CFTR P13569 1/20 0.40
APEX1 P27695 1/20 0.40
CASP6 P55212 1/20 0.40
KMT2A Q03164 1/20 0.40
RAD51 Q06609 1/20 0.40
GOPC Q9HD26 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PSD A5PKW4 1/20 0.39
USP2 O75604 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6799738 1.00 CYP17A1 (0.40) CYP17A1CYP21A2CYP11B1MAPTALDH1A1
SCHEMBL6795769 0.93 MAPT (0.41) CYP17A1CYP21A2CYP11B1MAPTALDH1A1
SCHEMBL6795774 0.93 MAPT (0.41) CYP17A1CYP21A2CYP11B1MAPTALDH1A1
SCHEMBL6798020 0.93 PSD (0.46) MAPTALDH1A1KDM4EHKDC1RAD1
SCHEMBL6798012 0.93 PSD (0.46) MAPTALDH1A1KDM4EHKDC1RAD1
SCHEMBL6797072 0.92 PSD (0.45) MAPTALDH1A1KDM4EHKDC1RAD1
SCHEMBL6797066 0.92 PSD (0.45) MAPTALDH1A1KDM4EHKDC1RAD1
SCHEMBL6796476 0.91 PSD (0.40) CYP17A1CYP21A2CYP11B1MAPTALDH1A1
SCHEMBL6796463 0.91 PSD (0.40) CYP17A1CYP21A2CYP11B1MAPTALDH1A1
SCHEMBL6798757 0.90 ALDH1A1 (0.42) MAPTALDH1A1KDM4EHKDC1RAD1

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
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 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-0874845-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 EP disclosed
WO-1997024355-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-10 WO 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 CYP17A1 290/4885CYP21A2 80/4885CYP11B1 30/4885

“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.