SCHEMBL14484303

SCHEMBL14484303

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
ABL1 P00519 2/20 0.50
BCR P11274 2/20 0.50
GRM5 P41594 2/20 0.49
PGR P06401 7/20 0.49
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PLA2G7 Q13093 1/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL15064186 0.94 MAOB (0.49) MAOBABL1BCRGRM5PGR
SCHEMBL14553602 0.91 PGR (0.54) ABL1BCRPGRALDH1A1LMNA
SCHEMBL14484991 0.89 PGR (0.56) MAOBABL1BCRPGRALDH1A1
SCHEMBL14484821 0.88 PGR (0.62) PGRALDH1A1LMNAPKMNPSR1
SCHEMBL14484319 0.87 PGR (0.56) ABL1BCRPGRALDH1A1LMNA
SCHEMBL14488789 0.87 PGR (0.56) ABL1BCRPGRALDH1A1LMNA
SCHEMBL14553699 0.87 PGR (0.50) ABL1BCRPGRALDH1A1LMNA
SCHEMBL14553603 0.86 PGR (0.49) ABL1BCRPGRALDH1A1LMNA
SCHEMBL14484651 0.86 PGR (0.52) ABL1BCRPGRALDH1A1LMNA
SCHEMBL14484852 0.86 ABL1 (0.47) ABL1BCRPGRALDH1A1LMNA

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 MAOB 3805/4885ABL1 2583/4885BCR 2296/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885ABL1 2583/4885BCR 2296/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885ABL1 2583/4885BCR 2296/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885ABL1 2583/4885BCR 2296/4885

“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.