SCHEMBL6792401

SCHEMBL6792401

COC(=O)c1cccc(-c2cccc(Nc3ncccc3N)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.53
PDE5A O76074 1/20 0.53
MAPT P10636 4/20 0.52
ABCG2 Q9UNQ0 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
SRC P12931 1/20 0.51
ABCB1 P08183 1/20 0.49
MAPK1 P28482 3/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL6797385 0.93 ROCK1 (0.60) ROCK1PDE5AMAPTABCG2KDM4E
SCHEMBL6792631 0.92 PDE5A (0.47) ROCK1PDE5AMAPTABCG2KDM4E
SCHEMBL8793234 0.84 ASH1L (0.49) ROCK1PDE5AMAPTABCG2KDM4E
SCHEMBL6804452 0.82 CA12 (0.48) ROCK1PDE5AMAPTABCG2KDM4E
SCHEMBL6790872 0.82 MAPT (0.56) ROCK1PDE5AMAPTABCG2KDM4E
SCHEMBL6800292 0.81 ABCG2 (0.55) MAPTABCG2KDM4EMAPK1ALDH1A1
SCHEMBL6797722 0.81 CDC25B (0.63) MAPTKDM4EMAPK1LMNATP53
SCHEMBL6718025 0.81 ALDH1A1 (0.52) ROCK1MAPTKDM4EABL1BCR
SCHEMBL6793608 0.81 CA12 (0.56) ROCK1PDE5AMAPTABCG2KDM4E
SCHEMBL6797018 0.80 MEN1 (0.51) MAPTMAPK1LMNATP53TSHR

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 7 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
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 ROCK1 4423/4885PDE5A 4514/4885MAPT 4677/4885

“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.