SCHEMBL16454402

SCHEMBL16454402

Cc1cc(C(F)(F)F)c(-c2ccc(C#N)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.50
KIF11 P52732 3/20 0.49
NSD2 O96028 1/20 0.45
KDM1A O60341 4/20 0.41
AR P10275 3/20 0.41
MAOB P27338 3/20 0.41
AKT1 P31749 2/20 0.40
POLQ O75417 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL16454407 0.84 CLK4 (0.46) ARMAOBPTGDR2
SCHEMBL17816210 0.84 KIF11 (0.49) CYP11B2KIF11NSD2KDM1AAR
SCHEMBL16455701 0.81 CYP11B2 (0.49) CYP11B2NSD2KDM1AMAOBAKT1
SCHEMBL17813809 0.81 POLB (0.47) CYP11B2POLQSLC22A12L3MBTL1
SCHEMBL16454400 0.80 KDM4E (0.46) L3MBTL1
SCHEMBL16455583 0.79 MAPT (0.46) CYP11B2SLC22A12
SCHEMBL22795814 0.79 PDE3B (0.51) PIK3CASLC22A12
SCHEMBL28668535 0.77 KIF11 (0.57) CYP11B2KIF11NSD2ARPTGDR2
SCHEMBL1360894 0.76 KIF11 (0.62) CYP11B2KIF11NSD2KDM1AAR
SCHEMBL16455743 0.76 CYP11B2 (0.49) CYP11B2KDM1AARMAOBAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
EP-3030081-B1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-08-02 EP disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 US disclosed
WO-2015018431-A1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 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 (2 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS CYP11B2 343/4885KIF11 4855/4885NSD2 557/4885
US-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 CYP11B2 344/4885KIF11 3376/4885NSD2 4211/4885

“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.