SCHEMBL6797529

SCHEMBL6797529

O=C(Nc1cccc(-n2c(=O)c(Cn3ccnc3-c3ccccc3)nc3cccnc32)c1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.40
PDE4D Q08499 2/20 0.40
TP53 P04637 4/20 0.40
MAPT P10636 2/20 0.39
AKT1 P31749 2/20 0.39
BRAF P15056 1/20 0.37
POLB P06746 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
HSD17B13 Q7Z5P4 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6798698 0.90 RXFP1 (0.42) PDE4BPDE4DTP53RXFP1HSD17B13
SCHEMBL6798646 0.83 PDE4B (0.44) PDE4BPDE4DTP53MAPTRXFP1
SCHEMBL6796610 0.83 WDR5 (0.41) PDE4BPDE4DTP53MAPTPOLB
SCHEMBL8311523 0.81 PDE4B (0.43) PDE4BPDE4DTP53MAPTRXFP1
SCHEMBL6797424 0.80 PDE4B (0.46) PDE4BPDE4DTP53AKT1POLB
SCHEMBL6796219 0.79 EGFR (0.44) PDE4BPDE4DTP53MAPTPOLB
Hydrochloric Acid SCHEMBL6794144 0.78 EGFR (0.43) PDE4BPDE4DTP53MAPTPOLB
SCHEMBL6796619 0.78 PDE4B (0.40) PDE4BPDE4DTP53MAPTAKT1
SCHEMBL6798223 0.78 KDM4E (0.48) PDE4BPDE4DTP53MAPTAKT1
SCHEMBL6797148 0.77 EGFR (0.48) TP53MAPTAKT1POLBKMT2A

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 PDE4B 3918/4885PDE4D 4569/4885TP53 3947/4885

“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.