SCHEMBL2154019

SCHEMBL2154019

N#Cc1cccc(CCc2cccc(C#N)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CNR1 P21554 1/20 0.48
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
MEP1A Q16819 1/20 0.47
MEP1B Q16820 1/20 0.47
ENPP2 Q13822 1/20 0.47
TSHR P16473 1/20 0.46
NOS1 P29475 1/20 0.46
HTR2B P41595 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL6950852 0.94 TSHR (0.52) GLAMEN1KMT2ACYP19A1CYP11B1
SCHEMBL28248372 0.91 HTR2B (0.54) GLAMEN1KMT2ACYP19A1CYP11B1
SCHEMBL28865565 0.91 HTR2B (0.50) GLAMEN1KMT2ACYP19A1CYP11B1
SCHEMBL7450600 0.90 CLK4 (0.50) GLAMEN1KMT2ACYP19A1CYP11B1
SCHEMBL24358855 0.89 HTR2B (0.49) GLAMEN1KMT2ACYP19A1CYP11B1
SCHEMBL29732423 0.89 HTR2B (0.49) GLAMEN1KMT2ACYP19A1CYP11B1
SCHEMBL320197 0.87 HRH3 (0.49) GLAMEN1KMT2ACYP19A1CYP11B1
SCHEMBL2004401 0.87 ADRA2C (0.54) GLAMEN1KMT2ACYP19A1CYP11B1
SCHEMBL2058688 0.87 GLA (0.47) GLAMEN1KMT2ACYP19A1CYP11B1
SCHEMBL7634582 0.87 GLA (0.47) GLAMEN1KMT2ACYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3984452-A Process for the preparation of a p,p'-dicyanobibenzyl and a m,m'-dicyanobibenzyl AKZONA INCORPORATED (US) 1976-10-05 US claimed
EP-3184171-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2019-03-20 EP disclosed
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-12-04 US disclosed
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2017-10-26 US disclosed
US-9732106-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-08-15 US disclosed
EP-3184171-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2017-06-28 EP disclosed
EP-2519532-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2017-03-08 EP disclosed
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2016-06-16 US disclosed
US-9283555-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2016-03-15 US disclosed
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-08-07 US disclosed
US-8680003-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-03-25 US disclosed
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-12-06 US disclosed
EP-2519532-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2012-11-07 EP disclosed
WO-2011082192-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-07 WO disclosed
US-3984452-A Process for the preparation of a p,p'-dicyanobibenzyl and a m,m'-dicyanobibenzyl AKZONA INCORPORATED (US) 1976-10-05 US disclosed
US-3984452-A Process for the preparation of a p,p'-dicyanobibenzyl and a m,m'-dicyanobibenzyl AKZONA INCORPORATED (US) 1976-10-05 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 (5 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-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins NIT2, NCLN, NPM1 GLA 4312/4885MEN1 37/4885KMT2A 3870/4885
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 GLA 4312/4885MEN1 37/4885KMT2A 3870/4885
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 GLA 4312/4885MEN1 37/4885KMT2A 3870/4885
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 GLA 4312/4885MEN1 37/4885KMT2A 3870/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 GLA 4312/4885MEN1 37/4885KMT2A 3870/4885

“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.