SCHEMBL15086788

SCHEMBL15086788

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.40
▸ SCD5 Q86SK9 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ PDE4A P27815 3/20 0.35
▸ PDE4B Q07343 3/20 0.35
▸ PDE4C Q08493 3/20 0.35
▸ PDE4D Q08499 3/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ TLR9 Q9NR96 2/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15086756 0.90 KMT2A (0.44) SCDSCD5ALDH1A1LMNAKMT2A
SCHEMBL15086792 0.88 SCD (0.43) SCDSCD5ALDH1A1KMT2ANR1H2
SCHEMBL15086799 0.86 SCD (0.45) SCDSCD5ALDH1A1KMT2ANR1H2
SCHEMBL15086749 0.86 SCD (0.49) SCDSCD5ALDH1A1KMT2ANR1H2
SCHEMBL15086793 0.85 SCD (0.45) SCDSCD5ALDH1A1KMT2ANR1H2
SCHEMBL15086744 0.85 SCD (0.45) SCDSCD5ALDH1A1KMT2ANR1H2
SCHEMBL15086769 0.81 KMT2A (0.44) ALDH1A1LMNAKMT2APDE4APDE4B
SCHEMBL15086754 0.80 KMT2A (0.44) ALDH1A1LMNAKMT2APDE4APDE4B
SCHEMBL15086750 0.76 KMT2A (0.44) ALDH1A1KMT2APDE4APDE4BPDE4C
SCHEMBL15086742 0.76 KMT2A (0.41) ALDH1A1KMT2APDE4APDE4BPDE4C

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 3658/4885ALDH1A1 3510/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR SCD 3841/4885SCD5 3658/4885ALDH1A1 3510/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR SCD 3841/4885SCD5 3658/4885ALDH1A1 3510/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR SCD 3841/4885SCD5 3658/4885ALDH1A1 3510/4885

“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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