SCHEMBL6957142

SCHEMBL6957142

COc1cccc2nc(C(F)(F)F)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.44
ELANE P08246 1/20 0.43
PDE4B Q07343 3/20 0.43
PDE3A Q14432 3/20 0.43
NQO2 P16083 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CDK9 P50750 1/20 0.40
DYRK1A Q13627 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9677048 0.84 NPSR1 (0.49) NPSR1PKMALDH1A1KDM4EL3MBTL1
SCHEMBL10626672 0.81 NPSR1 (0.46) NPSR1PKMALDH1A1KDM4ELMNA
SCHEMBL10623907 0.80 NPSR1 (0.45) NPSR1PKMALDH1A1KDM4ELMNA
SCHEMBL25338930 0.79 ELANE (0.56) NPSR1PKMELANEPDE4BPDE3A
SCHEMBL2399386 0.79 PKM (0.47) NPSR1PKMELANEPDE4BPDE4A
SCHEMBL9502744 0.78 NPSR1 (0.53) NPSR1PKMELANEALDH1A1KDM4E
SCHEMBL6935072 0.78 NQO2 (0.44) NPSR1PKMPDE3ANQO2CDK9
SCHEMBL10626663 0.77 NPSR1 (0.42) NPSR1PKMALDH1A1KDM4ELMNA
SCHEMBL10840751 0.77 PDE4B (0.57) NPSR1PKMPDE4BPDE3ANQO2
SCHEMBL4611131 0.76 ALDH1A1 (0.46) PKMELANEPDE3ANQO2CDK9

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 NPSR1 2276/4885PKM 2077/4885ELANE 174/4885

“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.