SCHEMBL14484331

SCHEMBL14484331

COc1ccc(C2=NNCC2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.61
PDE4A P27815 7/20 0.61
PDE4C Q08493 6/20 0.61
PDE4D Q08499 6/20 0.61
PDE3B Q13370 3/20 0.61
PDE3A Q14432 3/20 0.61
MAOB P27338 1/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
GAA P10253 1/20 0.43
MPI P34949 1/20 0.43
GFER P55789 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MIF P14174 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5203405 0.90 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL3072114 0.80 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL3054495 0.80 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL3069582 0.78 PDE4A (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL6935016 0.76 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL23768672 0.74 MEN1 (0.43) KDM4EALDH1A1MAPTTDP1HSD17B10
SCHEMBL9869903 0.72 PDE4A (0.57) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL28303332 0.71 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL3775165 0.71 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL14484314 0.71 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368030-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-12-28 US disclosed
US-20170368030-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-12-28 US disclosed
US-9775830-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-10-03 US disclosed
US-9775830-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-10-03 US disclosed
US-9775830-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-10-03 US disclosed
US-20170071910-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-20170071910-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-20170071910-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-9517227-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2016-12-13 US disclosed
US-9517227-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2016-12-13 US disclosed
US-8791114-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791114-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791114-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
CN-103827091-A Dihydropyrazoles, pharmaceutical compositions thereof and their use for the treatment of fertility disorders MERCK PATENT GMBH 2014-05-28 CN disclosed
EP-2726463-A2 DIHYDROPYRAZOLES Merck Patent GmbH (DE) 2014-05-07 EP disclosed
US-20130172351-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2013-07-04 US disclosed
US-20130172351-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2013-07-04 US disclosed
US-20130172351-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2013-07-04 US disclosed
WO-2013006308-A2 DIHYDROPYRAZOLES MERCK PATENT GMBH (DE) 2013-01-10 WO disclosed
WO-2013006308-A2 DIHYDROPYRAZOLES MERCK PATENT GMBH (DE) 2013-01-10 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 (3 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-20170368030-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR PDE4B 367/4885PDE4A 371/4885PDE4C 721/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR PDE4B 367/4885PDE4A 371/4885PDE4C 721/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR PDE4B 367/4885PDE4A 371/4885PDE4C 721/4885

“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.