SCHEMBL14487256

SCHEMBL14487256

COc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)C(C)(C)C2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.48
▸ MAOB P27338 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP46A1 Q9Y6A2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ MAPT P10636 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
SCHEMBL15086836 0.90 PDE4B (0.49) PDE4BMAOBKMT2AMEN1L3MBTL1
SCHEMBL14487421 0.90 PDE4B (0.49) PDE4BMAOBKMT2ANPC1SMN1; SMN2
SCHEMBL14553616 0.89 KMT2A (0.58) PDE4BMAOBKMT2ASMN1; SMN2GAA
SCHEMBL15905610 0.89 PDE4B (0.53) PDE4BMAOBKMT2AMEN1L3MBTL1
SCHEMBL14553646 0.89 PDE4B (0.48) PDE4BMAOBKMT2AMEN1L3MBTL1
SCHEMBL14553572 0.88 KMT2A (0.57) PDE4BMAOBKMT2ALMNAHTT
SCHEMBL14487645 0.88 PDE4B (0.46) PDE4BMAOBKMT2ASMN1; SMN2GAA
SCHEMBL14553704 0.87 PDE4B (0.52) PDE4BMAOBKMT2ANPC1RAB9A
SCHEMBL15064387 0.86 PDE4B (0.46) PDE4BMAOBKMT2AMEN1L3MBTL1
SCHEMBL14484292 0.85 LMNA (0.49) PDE4BMAOBKMT2AMEN1L3MBTL1

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 PDE4B 367/4885MAOB 3805/4885KMT2A 2373/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR PDE4B 367/4885MAOB 3805/4885KMT2A 2373/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR PDE4B 367/4885MAOB 3805/4885KMT2A 2373/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR PDE4B 367/4885MAOB 3805/4885KMT2A 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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