SCHEMBL6804452

SCHEMBL6804452

COC(=O)c1cc(Nc2ncccc2N)cc(C(=O)OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ROCK1 Q13464 2/20 0.47
HTT P42858 3/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 3/20 0.43
PPIA P62937 1/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6796184 0.90 HDAC1 (0.44) CA12CA1CA2CA9ROCK1
SCHEMBL6797385 0.89 ROCK1 (0.60) CA12CA1CA2CA9ROCK1
SCHEMBL6793608 0.87 CA12 (0.56) CA12CA1CA2CA9ROCK1
SCHEMBL31227531 0.83 CA12 (0.45) CA12CA1CA2CA9HTT
SCHEMBL6793342 0.82 PTPN11 (0.56) HTTALOX15KDM4EMAPK1MEN1
SCHEMBL6792401 0.82 ROCK1 (0.53) CA12CA1CA2CA9ROCK1
SCHEMBL6792631 0.81 PDE5A (0.47) CA12CA1CA2CA9ROCK1
SCHEMBL21311026 0.81 ROCK1 (0.48) CA12CA1CA2CA9ROCK1
SCHEMBL6797592 0.79 MAPT (0.63) MAPK1MEN1KMT2ALMNAALDH1A1
SCHEMBL30777212 0.78 ALDH1A1 (0.47) CA12CA1CA2CA9ROCK1

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.