SCHEMBL6794380

SCHEMBL6794380

COc1ccc(C(=O)c2cccc(Nc3ncccc3N)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
HTT P42858 3/20 0.52
MAPK1 P28482 2/20 0.52
PKM P14618 2/20 0.52
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 5/20 0.48
GAA P10253 2/20 0.47
STS P08842 2/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
CYP19A1 P11511 1/20 0.45
POLB P06746 2/20 0.44
DHODH Q02127 1/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL6797593 0.87 DHODH (0.54) MEN1KMT2AHTTMAPK1PKM
SCHEMBL6797385 0.83 ROCK1 (0.60) MEN1KMT2AHTTMAPK1PKM
SCHEMBL6797348 0.83 MAPT (0.54) MEN1KMT2AHTTMAPK1PKM
SCHEMBL6797018 0.80 MEN1 (0.51) MEN1KMT2AHTTMAPK1PKM
SCHEMBL6798694 0.80 MEN1 (0.64) MEN1KMT2AHTTMAPK1PKM
SCHEMBL6798215 0.79 CDC25B (0.57) MEN1KMT2AHTTMAPK1PKM
SCHEMBL35262 0.79 RAB9A (0.61) MEN1KMT2AHTTMAPK1ALDH1A1
SCHEMBL29384795 0.79 RAB9A (0.61) MEN1KMT2AHTTMAPK1ALDH1A1
SCHEMBL10372038 0.78 RAB9A (0.50) MEN1KMT2AHTTMAPK1ALDH1A1
SCHEMBL6792401 0.77 ROCK1 (0.53) MEN1KMT2AHTTMAPK1PKM

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 MEN1 2703/4885KMT2A 968/4885HTT 643/4885

“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.