SCHEMBL17338019

SCHEMBL17338019

C=CCn1cc2c(=O)[nH]nc-2c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.68
PDE4D Q08499 5/20 0.68
PDE4A P27815 3/20 0.68
PDE4C Q08493 3/20 0.68
PDE3B Q13370 3/20 0.68
PDE3A Q14432 3/20 0.68
CHRM1 P11229 2/20 0.56
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GSK3B P49841 2/20 0.46
GAA P10253 3/20 0.43
PLK1 P53350 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 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
SCHEMBL17337964 0.79 PDE4A (0.65) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL17337965 0.78 PDE4A (0.64) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL17338005 0.77 CNR2 (0.64) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL11895927 0.77 PDE4A (0.86) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL17337940 0.76 PDE4A (0.61) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL18858383 0.76 PDE4A (0.60) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL17337959 0.74 PDE4A (0.59) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6913073 0.73 PDE4A (0.64) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL2896150 0.73 PDE4A (0.61) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL2207329 0.73 PDE4A (0.57) PDE4BPDE4DPDE4APDE4CPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137419-A1 DERIVATIVES OF 2H-PYRAZOLO[4,3-C]QUINOLIN-3(5H)-ONE AND USE THEREOF INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-05-18 US disclosed
EP-3154981-A1 DERIVATIVES OF 2H-PYRAZOLO[4,3-C]QUINOLIN-3(5H)-ONE AND USE THEREOF Université du Droit et de la Santé de Lille 2 (FR) 2017-04-19 EP disclosed
WO-2015189523-A1 DERIVATIVES OF 2H-PYRAZOLO[4,3-C]QUINOLIN-3(5H)-ONE AND USE THEREOF UNIVERSITE DU DROIT ET DE LA SANTE LILLE 2 (FR) 2015-12-17 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-20170137419-A1 DERIVATIVES OF 2H-PYRAZOLO[4,3-C]QUINOLIN-3(5H)-ONE AND USE THEREOF CYP3A43, CYP3A5, CYP2D6 PDE4B 424/4885PDE4D 445/4885PDE4A 575/4885

“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.