SCHEMBL6797385

SCHEMBL6797385

COC(=O)c1cccc(Nc2ncccc2N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.60
MAPK1 P28482 3/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PDE5A O76074 1/20 0.54
MAPT P10636 4/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ABCG2 Q9UNQ0 2/20 0.53
ABCB1 P08183 1/20 0.53
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
SRC P12931 1/20 0.52
PPIA P62937 1/20 0.51
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL6792401 0.93 ROCK1 (0.53) ROCK1MAPK1LMNATP53TSHR
SCHEMBL6804452 0.89 CA12 (0.48) ROCK1MAPK1LMNATP53TSHR
SCHEMBL6797722 0.88 CDC25B (0.63) MAPK1LMNATP53TSHRMAPT
SCHEMBL6792631 0.87 PDE5A (0.47) ROCK1MAPK1LMNATP53TSHR
SCHEMBL6797018 0.86 MEN1 (0.51) MAPK1LMNATP53TSHRMAPT
SCHEMBL7440301 0.85 MEN1 (0.60) ROCK1MAPK1LMNATP53TSHR
SCHEMBL6798215 0.85 CDC25B (0.57) MAPK1LMNAKDM4EALDH1A1ABCG2
SCHEMBL6793608 0.85 CA12 (0.56) ROCK1MAPK1TP53PDE5AMAPT
SCHEMBL5250412 0.85 LMNA (0.65) ROCK1MAPK1LMNATP53TSHR
SCHEMBL2686638 0.84 MAPK1 (0.55) ROCK1MAPK1LMNATP53TSHR

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-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
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 ROCK1 4423/4885MAPK1 2643/4885LMNA 3681/4885

“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.