SCHEMBL14484384

SCHEMBL14484384

COc1ccc(C2=NN(C(=O)c3ccc(C)c(F)c3)CC2(C)C)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAOB P27338 1/20 0.40
KLK3 P07288 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
KLK7 P49862 1/20 0.37
MAPK10 P53779 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14553652 0.93 HTT (0.45) MAPTHSD17B10MAOBKLK3SMN1; SMN2
SCHEMBL14484348 0.92 MAOB (0.41) MAPTHSD17B10MAOBKLK3SMN1; SMN2
SCHEMBL14484300 0.89 MAOB (0.39) MAPTHSD17B10MAOBKLK3SMN1; SMN2
SCHEMBL14484428 0.87 POLB (0.44) TP53MAPTHSD17B10MAOBMAPK1
SCHEMBL14553651 0.87 KIF11 (0.40) MAPTHSD17B10MAOBKLK3SMN1; SMN2
SCHEMBL27958547 0.86 MAPT (0.49) TP53MAPTHSD17B10MAOBKLK3
SCHEMBL14553623 0.85 MAOB (0.43) MAPTHSD17B10MAOBKLK3SMN1; SMN2
SCHEMBL14484304 0.84 ALDH1A1 (0.44) MAPTMAOBKLK3ALDH1A1KMT2A
SCHEMBL14553657 0.83 HPGD (0.40) MAPTMAOBRAB9AKMT2APDE4B
SCHEMBL14484885 0.83 CTNNB1 (0.46) TP53MAPTHSD17B10MAOBKLK3

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 23 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-20140296238-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-10-02 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
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 (4 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 TP53 2335/4885MAPT 4055/4885HSD17B10 2278/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR TP53 2335/4885MAPT 4055/4885HSD17B10 2278/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR TP53 2335/4885MAPT 4055/4885HSD17B10 2278/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR TP53 2335/4885MAPT 4055/4885HSD17B10 2278/4885

“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.