SCHEMBL219061

SCHEMBL219061

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
MAPT P10636 1/20 0.69
MAPK1 P28482 1/20 0.69
KMT2A Q03164 1/20 0.69
CNR1 P21554 9/20 0.60
CNR2 P34972 6/20 0.59
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53

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
SCHEMBL4074146 0.94 KDM4E (0.65) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL219356 0.93 CNR1 (0.67) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL4791922 0.88 KDM4E (0.57) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL6766067 0.87 MAPT (0.74) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL923308 0.86 CNR1 (0.63) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL29838956 0.86 CNR2 (0.71) CNR1CNR2
SCHEMBL923180 0.86 CNR2 (0.71) CNR1CNR2
SCHEMBL972368 0.85 CNR1 (0.62) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL923181 0.84 CNR1 (0.61) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL17163901 0.84 CNR2 (0.62) KDM4EMEN1MAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US disclosed
US-7632852-B2 (1,5-diphenyl-1H-pyrazol-3-yl)oxadiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-12-15 US disclosed
US-7521471-B2 4-cyanopyrazole-3-carboxamide derivatives, preparation and application thereof SANOFI-AVENTIS (FR) 2009-04-21 US disclosed
US-20080039510-A1 (1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXADIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-02-14 US disclosed
US-20070293541-A1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF SANOFI-AVENTIS (FR) 2007-12-20 US disclosed
US-7282516-B2 4-cyanopyrazole-3-carboxamide derivatives, preparation, and application thereof SANOFI-AVENTIS (FR) 2007-10-16 US disclosed
US-20060135776-A1 4-Cyanopyrazole-3-carboxamide derivatives, preparation, and application thereof SANOFI-AVENTIS (FR) 2006-06-22 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-20060135776-A1 4-Cyanopyrazole-3-carboxamide derivatives, preparation, and application thereof CBR3, CNR1, CNR2 KDM4E 1523/4885MEN1 2265/4885MAPT 4269/4885
US-20080039510-A1 (1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXADIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS DHFR, DPYD, THPO KDM4E 1047/4885MEN1 642/4885MAPT 2328/4885
US-20070293541-A1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF CBR3, CNR1, CNR2 KDM4E 1320/4885MEN1 2170/4885MAPT 4280/4885
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 KDM4E 439/4885MEN1 1092/4885MAPT 3121/4885

“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.