SCHEMBL6794097

SCHEMBL6794097

O=C1CCC(=O)N1c1cccc(-n2c(=O)c(CBr)nc3cccnc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4B Q07343 12/20 0.38
PDE4D Q08499 11/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6793330 0.83 L3MBTL1 (0.46) NPSR1ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL6798715 0.83 NPSR1 (0.37) NPSR1ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL6798737 0.83 NPSR1 (0.37) NPSR1ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL6805376 0.82 PDE10A (0.42) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL6799259 0.77 ALDH1A1 (0.50) ALDH1A1HPGDPDE4BPDE4DL3MBTL1
SCHEMBL6798260 0.77 AKT1 (0.41) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL6799109 0.75 ALDH1A1 (0.43) ALDH1A1HSD17B10MEN1HPGDKMT2A
SCHEMBL6798646 0.72 PDE4B (0.44) MEN1KMT2APDE4BPDE4DRXFP1
SCHEMBL7362484 0.70 CYP19A1 (0.48) ALDH1A1KDM4EMEN1KMT2APDE4B
SCHEMBL6798673 0.70 ALDH1A1 (0.43) ALDH1A1HSD17B10MEN1HPGDKMT2A

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 NPSR1 465/4885ALDH1A1 339/4885HSD17B10 117/4885

“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.