SCHEMBL6955772

SCHEMBL6955772

COc1ccc(C(=O)Nc2ccncc2)c2c1nc(C(C)=O)n2C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.69
PDE4A P27815 6/20 0.69
PDE4C Q08493 6/20 0.69
PDE4D Q08499 6/20 0.69
KCNMA1 Q12791 1/20 0.51
JAK2 O60674 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
TYK2 P29597 2/20 0.46
PDE10A Q9Y233 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 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
SCHEMBL6957705 0.81 PDE4D (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL6957343 0.80 PDE4A (0.63) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6955141 0.74 PDE4A (0.55) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL13210698 0.72 KCNMA1 (0.74) PDE4BPDE4APDE4CPDE4DKCNMA1
SCHEMBL4702655 0.71 PDE4A (1.00) PDE4BPDE4APDE4CPDE4DKCNMA1
SCHEMBL6954801 0.70 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DKCNMA1
SCHEMBL8270346 0.70 PDE4A (0.64) PDE4BPDE4APDE4CPDE4DKCNMA1
SCHEMBL6778054 0.69 SMN1; SMN2 (0.78) KCNMA1JAK2SMN1; SMN2MAPK1ALDH1A1
SCHEMBL6950187 0.69 PDE4A (0.58) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL6836458 0.68 KCNMA1 (0.56) PDE4BPDE4APDE4CPDE4DKCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP claimed
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use DYKE HAZEL JOAN (GB) 2002-07-18 US claimed
EP-0944616-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-09-29 EP claimed
WO-1998022460-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-05-28 WO claimed
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP disclosed
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use DYKE HAZEL JOAN (GB) 2002-07-18 US disclosed
US-6353010-B1 ENZYME INHIBITORS TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE FOR ANTIINFLAMMATORY AGENTS DARWIN DISCOVERY, LTD. (GB) 2002-03-05 US disclosed
EP-0944616-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-09-29 EP disclosed
WO-1998022460-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-05-28 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-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use PDE3B, PDE3A, PDE2A PDE4B 12/4885PDE4A 9/4885PDE4C 16/4885

“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.