SCHEMBL14484302

SCHEMBL14484302

N#Cc1cccc(C2=NN(C(=O)c3cccc(F)c3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.47
USP2 O75604 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PGR P06401 6/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
GLA P06280 1/20 0.42
GRM5 P41594 1/20 0.42
SLC6A7 Q99884 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
SMO Q99835 1/20 0.41

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
SCHEMBL14553602 0.88 PGR (0.54) USP2SMN1; SMN2PGRALDH1A1LMNA
SCHEMBL14484764 0.88 PGR (0.51) CYP3A4USP2SMN1; SMN2PGRALDH1A1
SCHEMBL14553610 0.87 GABRG2 (0.40) CYP3A4USP2SMN1; SMN2PGRALDH1A1
SCHEMBL14484821 0.85 PGR (0.62) CYP3A4USP2SMN1; SMN2PGRALDH1A1
SCHEMBL14488789 0.84 PGR (0.56) CYP3A4USP2SMN1; SMN2PGRALDH1A1
SCHEMBL14553699 0.84 PGR (0.50) SMN1; SMN2PGRALDH1A1LMNAPKM
SCHEMBL14484319 0.84 PGR (0.56) CYP3A4USP2SMN1; SMN2PGRALDH1A1
SCHEMBL15086791 0.83 PARP1 (0.52) SMN1; SMN2PGRALDH1A1LMNAPKM
SCHEMBL14484303 0.83 MAOB (0.55) SMN1; SMN2PGRALDH1A1LMNAPKM
SCHEMBL14553603 0.83 PGR (0.49) SMN1; SMN2PGRALDH1A1LMNAPKM

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 CYP3A4 459/4885USP2 4532/4885SMN1; SMN2 3843/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR CYP3A4 459/4885USP2 4532/4885SMN1; SMN2 3843/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR CYP3A4 459/4885USP2 4532/4885SMN1; SMN2 3843/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR CYP3A4 459/4885USP2 4532/4885SMN1; SMN2 3843/4885

“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.