SCHEMBL6794142

SCHEMBL6794142

COC(=O)c1ccccc1NC(=O)Nc1cccc(-n2c(=O)c(CCC(=O)N3CCCC3)nc3cccnc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
TP53 P04637 4/20 0.43
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
PDE4B Q07343 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 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
SCHEMBL6797216 0.85 MAPT (0.43) KDM4ETP53RAB9AMAPTALDH1A1
SCHEMBL6798199 0.84 EGFR (0.50) KDM4ETP53HSD17B10MEN1KMT2A
SCHEMBL6793285 0.82 MAPT (0.47) TP53RAB9AMEN1KMT2AMAPT
SCHEMBL6797256 0.80 MAPT (0.49) TP53RAB9AMEN1KMT2AMAPT
SCHEMBL6804034 0.80 MAPT (0.47) TP53RAB9AMEN1KMT2AMAPT
SCHEMBL6799270 0.79 HCRTR1 (0.42) TP53RAB9AMAPTMAPK1PDE4B
SCHEMBL6793286 0.78 MAPT (0.45) TP53RAB9AMEN1KMT2AMAPT
SCHEMBL6804319 0.77 TP53 (0.48) KDM4ETP53RAB9AMEN1KMT2A
SCHEMBL6793706 0.76 MAPT (0.43) KDM4ETP53RAB9AMEN1KMT2A
SCHEMBL6804231 0.76 MAPT (0.44) KDM4ETP53RAB9AMEN1KMT2A

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 KDM4E 2663/4885TP53 3947/4885RAB9A 1092/4885

“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.