SCHEMBL15086799

SCHEMBL15086799

COc1ccc(C2=NN(C(=O)c3cccc(F)c3)CC2c2ccc(C)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.45
▸ SCD5 Q86SK9 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ GRM5 P41594 2/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ CNR1 P21554 1/20 0.38

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
SCHEMBL15086749 0.93 SCD (0.49) SCDSCD5KMT2ANR1H2NR1H3
SCHEMBL15086744 0.92 SCD (0.45) SCDSCD5KMT2ANR1H2NR1H3
SCHEMBL15086793 0.92 SCD (0.45) SCDSCD5KMT2ANR1H2NR1H3
SCHEMBL15086792 0.89 SCD (0.43) SCDSCD5KMT2ANR1H2NR1H3
SCHEMBL15086756 0.89 KMT2A (0.44) SCDSCD5KMT2AGRM5NR1H2
SCHEMBL15086788 0.86 SCD (0.40) SCDSCD5KMT2ANR1H2NR1H3
SCHEMBL15086753 0.82 KMT2A (0.47) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL15086752 0.81 KMT2A (0.43) KMT2AALDH1A1MAPTPDE4APDE4B
SCHEMBL15086750 0.79 KMT2A (0.44) KMT2AGRM5ALDH1A1PDE4APDE4B
SCHEMBL15086751 0.79 PDE4A (0.47) KMT2AALDH1A1PDE4APDE4BPDE4C

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

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 SCD 3841/4885SCD5 3658/4885KMT2A 2373/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR SCD 3841/4885SCD5 3658/4885KMT2A 2373/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR SCD 3841/4885SCD5 3658/4885KMT2A 2373/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR SCD 3841/4885SCD5 3658/4885KMT2A 2373/4885

“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.

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