SCHEMBL6799259

SCHEMBL6799259

COC(=O)c1cccc(-n2c(=O)c(CBr)nc3cccnc32)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RXFP1 Q9HBX9 2/20 0.48
TP53 P04637 4/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.46
STAT3 P40763 1/20 0.46
PDE4B Q07343 2/20 0.44
PDE4D Q08499 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
ALOX15 P16050 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL6799395 0.87 PDE4A (0.50) ALDH1A1HPGDL3MBTL1RXFP1TP53
SCHEMBL6803285 0.85 TP53 (0.47) ALDH1A1HPGDL3MBTL1RXFP1TP53
SCHEMBL6796816 0.85 ALDH1A1 (0.54) ALDH1A1HPGDL3MBTL1RXFP1TP53
SCHEMBL6796416 0.85 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1RXFP1TP53
SCHEMBL7464374 0.85 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1RXFP1TP53
SCHEMBL6804709 0.84 RXFP1 (0.48) ALDH1A1HPGDL3MBTL1RXFP1TP53
SCHEMBL6797576 0.83 HPGD (0.44) ALDH1A1HPGDL3MBTL1RXFP1TP53
SCHEMBL6793249 0.80 GRM5 (0.44) ALDH1A1HPGDL3MBTL1RXFP1TP53
SCHEMBL6797485 0.79 GAA (0.43) ALDH1A1TP53POLBPDE4BPDE4D
SCHEMBL6805376 0.78 PDE10A (0.42) ALDH1A1RXFP1TP53PDE4BPDE4D

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 ALDH1A1 339/4885HPGD 2360/4885L3MBTL1 1987/4885

“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.