SCHEMBL11488385

SCHEMBL11488385

NCC(O)c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.45
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
ADRA1A P35348 2/20 0.45
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 2/20 0.44
APEX1 P27695 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MAPT P10636 1/20 0.44
RAD52 P43351 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PNMT P11086 1/20 0.43

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
SCHEMBL7148497 1.00 ADRB2 (0.45) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL24370608 0.84 CES2 (0.42) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL20833289 0.81 CES2 (0.40) CES2CES1GBA1
SCHEMBL7170117 0.80 ADRA2C (0.46) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL28910421 0.79 CES2 (0.45) ADRA2AADRA2BADRA2CCES2CES1
SCHEMBL7153251 0.78 ADRA2C (0.53) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL7171627 0.77 ADRA2C (0.50) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1206404 0.77 ADRA2C (0.50) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL30288482 0.77 ADRA2C (0.50) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL7150641 0.77 ADRA2C (0.50) ADRB2ADRA2AADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146483-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER NXERA PHARMA UK LIMITED (GB) 2023-05-11 US disclosed
US-4224224-A Certain 1-(carbocyclic aryl)-1-halo(or mesyloxy or tosyloxy)-2-(3'-alkoxycarbonylguanidino) ethanes SYNTEX (U.S.A.) INC. (US) 1980-09-23 US disclosed
US-4172204-A Method for preparing 4,5-dihydro-2-alkoxycarbonylamino-5-carbocyclic aryl imidazoles and intermediates thereof SYNTEX (U.S.A.) INC. (US) 1979-10-23 US disclosed
EP-0001500-A1 1-Carbocyclic aryl-2-mono or -bis(alkoxycarbonyl) guanidino ethanes, and methods for their preparation and the preparation therefrom of 4,5-dihydro-2-alkoxycarbonylamino-5-carbocyclic aryl imidazoles SYNTEX (U.S.A.) INC. (US) 1979-04-18 EP 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 (1 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-20230146483-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER ADORA2A, ADORA1, ADORA3 ADRB2 80/4885ADRA2A 41/4885ADRA2B 69/4885

“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.