SCHEMBL14553539

SCHEMBL14553539

COc1ccc(C2=NN(C(=O)c3ccc4c(c3)OCO4)C(C)(C)C2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ STAT1 P42224 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ PDE4B Q07343 2/20 0.45
▸ TNFRSF1A P19438 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
SCHEMBL15088298 0.83 MAPT (0.58) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL15086836 0.83 PDE4B (0.49) LMNAKMT2APDE4B
SCHEMBL14487421 0.83 PDE4B (0.49) MAPTSMN1; SMN2NPC1LMNAKMT2A
SCHEMBL14487363 0.82 PDE4B (0.47) SMN1; SMN2LMNAKMT2AMAPK1ALDH1A1
SCHEMBL15905610 0.82 PDE4B (0.53) MAPTLMNAKMT2AMAPK1ALDH1A1
SCHEMBL14487256 0.82 PDE4B (0.48) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL14553616 0.82 KMT2A (0.58) MAPTSMN1; SMN2LMNAKMT2APDE4B
SCHEMBL14553646 0.82 PDE4B (0.48) MAPTLMNAKMT2APDE4B
SCHEMBL14553572 0.82 KMT2A (0.57) MAPTLMNAKMT2AMAPK1PDE4B
SCHEMBL14487427 0.80 PDE4B (0.45) MAPTLMNAKMT2ATP53PDE4B

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 14 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
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 MAPT 4055/4885SMN1; SMN2 3843/4885RAB9A 2196/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAPT 4055/4885SMN1; SMN2 3843/4885RAB9A 2196/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAPT 4055/4885SMN1; SMN2 3843/4885RAB9A 2196/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAPT 4055/4885SMN1; SMN2 3843/4885RAB9A 2196/4885

“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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