SCHEMBL14553602

SCHEMBL14553602

O=C(c1cccc(F)c1)N1CCC(c2cccc(F)c2)=N1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.54
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
PLA2G7 Q13093 1/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL14484821 0.93 PGR (0.62) PGRALDH1A1LMNAPKMNPSR1
SCHEMBL14484319 0.92 PGR (0.56) PGRALDH1A1LMNAPKMNPSR1
SCHEMBL14488789 0.92 PGR (0.56) PGRALDH1A1LMNAPKMNPSR1
SCHEMBL14553699 0.92 PGR (0.50) PGRALDH1A1LMNAPKMNPSR1
SCHEMBL14484651 0.91 PGR (0.52) PGRALDH1A1LMNAPKMNPSR1
SCHEMBL14553603 0.91 PGR (0.49) PGRALDH1A1LMNAPKMNPSR1
SCHEMBL14484303 0.91 MAOB (0.55) PGRALDH1A1LMNAPKMNPSR1
SCHEMBL15086791 0.91 PARP1 (0.52) PGRALDH1A1LMNAPKMNPSR1
SCHEMBL14484722 0.91 PGR (0.60) PGRALDH1A1LMNAPKMNPSR1
SCHEMBL14484341 0.89 PGR (0.47) PGRALDH1A1LMNAPKMNPSR1

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 21 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-20140296238-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-10-02 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
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

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 PGR 21/4885ALDH1A1 3510/4885LMNA 3712/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR PGR 21/4885ALDH1A1 3510/4885LMNA 3712/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR PGR 21/4885ALDH1A1 3510/4885LMNA 3712/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR PGR 21/4885ALDH1A1 3510/4885LMNA 3712/4885

“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.