SCHEMBL3751385

SCHEMBL3751385

c1ccc2c(c1)CC(NC1=NCCO1)C2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 14/20 0.55
ADRA2B P18089 14/20 0.55
ADRA2C P18825 14/20 0.55
ADRA1A P35348 5/20 0.55
GMNN O75496 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
OPRK1 P41145 1/20 0.39
HIF1A Q16665 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
CFB P00751 1/20 0.38
GBA1 P04062 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
SCHEMBL4564280 0.89 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL12883104 0.84 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1AGMNN
SCHEMBL10556098 0.82 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1AGMNN
SCHEMBL10555827 0.74 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL10554892 0.74 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL10680232 0.74 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AGMNN
SCHEMBL1723548 0.73 ADRA2B (0.84) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL6897370 0.71 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1AGMNN
SCHEMBL1724062 0.71 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ATSHR
SCHEMBL9619248 0.69 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1AGMNN

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-4861789-A Dihydro-indene-amine-dihydrooxazoles BEECHAM GROUP PLC (GB) 1989-08-29 US claimed
EP-0251453-A2 Substituted amino-dihydrooxazoles, -thiazoles and -imidazoles, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-01-07 EP claimed
WO-2023185811-A1 NOVEL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2023-10-05 WO disclosed
US-20210309642-A1 Process for Manufacture of (S)-N-(3-((2-((4-((1-acetylpyrrolidin-3-yl)(methyl)amino)phenyl)amino)-5-methoxypyrimidin-4-yl)oxy)phenyl)acrylamide, and Formulations Thereof ACEA Therapeutics, Inc. (US) 2021-10-07 US disclosed
US-20100298138-A1 Aminoazoline and Urea Derivatives for Combating Animal Pests BASF SE (DE) 2010-11-25 US disclosed
CN-101677552-A The Aminoazoline and the urea derivative of control animal pest BASF SE 2010-03-24 CN disclosed
EP-2120576-A2 AMINOAZOLINE AND UREA DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2009-11-25 EP disclosed
WO-2008145615-A2 AMINOAZOLINE AND UREA DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-12-04 WO disclosed
WO-2008135181-A2 INSECTICIDAL SUBSTITUTED 2-AMINOINDANES BAYER CROPSCIENCE AG (DE) 2008-11-13 WO disclosed
WO-2008135181-A2 INSECTICIDAL SUBSTITUTED 2-AMINOINDANES BAYER CROPSCIENCE AG (DE) 2008-11-13 WO disclosed
EP-1988080-A1 Insecticidal substituted 2-aminoindanes Bayer CropScience AG (DE) 2008-11-05 EP disclosed
EP-1988080-A1 Insecticidal substituted 2-aminoindanes Bayer CropScience AG (DE) 2008-11-05 EP disclosed
US-4861879-A VAGINAL FUNGICIDE JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-29 US disclosed
US-4861789-A Dihydro-indene-amine-dihydrooxazoles BEECHAM GROUP PLC (GB) 1989-08-29 US disclosed
US-4803268-A HERBICIDES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1989-02-07 US disclosed
EP-0251453-A2 Substituted amino-dihydrooxazoles, -thiazoles and -imidazoles, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-01-07 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 (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-20100298138-A1 Aminoazoline and Urea Derivatives for Combating Animal Pests AADAT, INMT, SLC14A1 ADRA2A 2376/4885ADRA2B 1308/4885ADRA2C 988/4885
US-20210309642-A1 Process for Manufacture of (S)-N-(3-((2-((4-((1-acetylpyrrolidin-3-yl)(methyl)amino)phenyl)amino)-5-methoxypyrimidin-4-yl)oxy)phenyl)acrylamide, and Formulations Thereof BMX, ITK, BLK ADRA2A 3825/4885ADRA2B 3921/4885ADRA2C 3822/4885

“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.