SCHEMBL6955141

SCHEMBL6955141

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.55
PDE4B Q07343 3/20 0.55
PDE4C Q08493 3/20 0.55
PDE4D Q08499 3/20 0.55
CXCR3 P49682 1/20 0.43
NQO2 P16083 2/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
CASR P41180 1/20 0.36
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
ERN1 O75460 1/20 0.35
HTT P42858 1/20 0.34
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6957343 0.82 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCXCR3
SCHEMBL6955772 0.74 PDE4B (0.69) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6953638 0.74 CXCR3 (0.56) PDE4APDE4BPDE4CPDE4DCXCR3
SCHEMBL6950495 0.72 PDE4B (0.50) PDE4APDE4BPDE4CPDE4DNQO2
SCHEMBL6957705 0.71 PDE4D (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL29691311 0.64 KMT2A (0.38) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL6953585 0.63 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DNQO2
SCHEMBL28148573 0.63 ALDH1A1 (0.45) NQO2ALDH1A1CASRMAPT
SCHEMBL23800686 0.63 KMT2A (0.45) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL10200957 0.62 KDM4E (0.47) PDE4APDE4BPDE4CPDE4DMEN1

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 5 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 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 PDE4A 9/4885PDE4B 12/4885PDE4C 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.