SCHEMBL6846758

SCHEMBL6846758

CN(C)c1ccc(N)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.55
TSHR P16473 2/20 0.55
GLA P06280 1/20 0.55
POLB P06746 1/20 0.55
NOTUM Q6P988 1/20 0.43
NR1H2 P55055 1/20 0.41
KIF11 P52732 3/20 0.39
AR P10275 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
SRC P12931 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL5951233 0.82 GAA (0.57) GAATSHRGLAPOLBNR1H2
SCHEMBL1407867 0.80 GAA (0.47) GAATSHRGLAPOLBNR1H2
SCHEMBL15215228 0.80 GAA (0.55) GAATSHRGLAPOLBNR1H2
SCHEMBL1927873 0.79 GAA (0.50) GAATSHRGLAPOLBNR1H2
SCHEMBL1408407 0.78 TSHR (0.44) GAATSHRGLAPOLBNR1H2
SCHEMBL12017814 0.78 NOTUM (0.44) TSHRNOTUMKIF11ARALDH1A1
SCHEMBL9233640 0.78 NOTUM (0.44) NOTUMKMT2AATMCRHR1ACP1
SCHEMBL13812978 0.77 GLA (0.43) GAATSHRGLAPOLBNR1H2
SCHEMBL619545 0.76 NOTUM (0.40) GAANOTUMCRHR1ACP1
SCHEMBL12844662 0.75 CA12 (0.37) GAATSHRGLAPOLBNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 US disclosed
CN-101035769-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2007-09-12 CN disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 US disclosed
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA GAA 1871/4885TSHR 2259/4885GLA 1452/4885
US-20080119466-A1 Heteroarylphenylurea Derivative CHRM1, CBR3, CHRM2 GAA 4441/4885TSHR 154/4885GLA 3615/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA GAA 1871/4885TSHR 2259/4885GLA 1452/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS GAA 3215/4885TSHR 2713/4885GLA 4150/4885
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 GAA 1129/4885TSHR 4447/4885GLA 3719/4885

“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.