SCHEMBL6798698

SCHEMBL6798698

Cc1nccn1Cc1nc2cccnc2n(-c2cccc(NC(=O)c3cc(Cl)cc(Cl)c3)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
PDE4B Q07343 7/20 0.42
PDE4D Q08499 5/20 0.42
TP53 P04637 4/20 0.41
ALDH1A1 P00352 1/20 0.39
HSD17B13 Q7Z5P4 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
SCHEMBL6797529 0.90 PDE4B (0.40) RXFP1PDE4BPDE4DTP53HSD17B13
SCHEMBL6798646 0.85 PDE4B (0.44) RXFP1PDE4BPDE4DTP53
SCHEMBL6796610 0.85 WDR5 (0.41) RXFP1PDE4BPDE4DTP53ALDH1A1
SCHEMBL6797424 0.84 PDE4B (0.46) RXFP1PDE4BPDE4DTP53
SCHEMBL8311523 0.83 PDE4B (0.43) RXFP1PDE4BPDE4DTP53
SCHEMBL6804709 0.81 RXFP1 (0.48) RXFP1PDE4BPDE4DTP53ALDH1A1
SCHEMBL6796219 0.81 EGFR (0.44) PDE4BPDE4DTP53HSD17B13
Hydrochloric Acid SCHEMBL6794144 0.80 EGFR (0.43) PDE4BPDE4DTP53HSD17B13
SCHEMBL6796619 0.80 PDE4B (0.40) RXFP1PDE4BPDE4DTP53
SCHEMBL7827513 0.79 EGFR (0.43) RXFP1PDE4BPDE4DHSD17B13

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
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
EP-0398578-B1 2-piperidino-1-alkanol derivatives as antiischemic agents PFIZER (US) 1997-03-12 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 RXFP1 1227/4885PDE4B 3918/4885PDE4D 4569/4885

“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.