SCHEMBL6793208

SCHEMBL6793208

O=C(O)CCc1nc2cccnc2n(-c2cccc(-c3ccccc3)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 5/20 0.44
TP53 P04637 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
PDE4B Q07343 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.42

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
SCHEMBL6803925 0.89 KDM4E (0.45) ALDH1A1TP53KDM4EHSD17B10POLB
SCHEMBL8794050 0.85 PDE4A (0.50) LMNAALDH1A1TP53HSD17B10POLB
SCHEMBL6805376 0.84 PDE10A (0.42) ALDH1A1TP53KDM4EHSD17B10PDE4B
SCHEMBL6798463 0.84 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDPDE4BPDE4A
SCHEMBL6799820 0.83 TP53 (0.47) HDAC6LMNATP53MAPTAKT1
SCHEMBL6793627 0.82 PDE4B (0.41) ALDH1A1TP53HSD17B10POLBPDE4B
SCHEMBL6797537 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10POLBPDE4B
SCHEMBL6798192 0.81 MEN1 (0.47) ALDH1A1TP53KDM4EHSD17B10POLB
SCHEMBL6802904 0.81 CYP2C19 (0.41) ALDH1A1TP53HSD17B10POLBHPGD
SCHEMBL6798163 0.80 MAPT (0.45) ALDH1A1HSD17B10HPGDPDE4BPDE4A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP claimed
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 HDAC6 158/4885LMNA 3681/4885ALDH1A1 339/4885

“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.