SCHEMBL8485751

SCHEMBL8485751

CC(F)c1ncnc(NCCc2ccccc2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
MAPK1 P28482 3/20 0.51
APP P05067 2/20 0.51
EGFR P00533 1/20 0.51
LMNA P02545 1/20 0.51
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
SLC29A1 Q99808 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
TMIGD3 P0DMS9 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ADORA2B P29275 1/20 0.46
HTR7 P34969 1/20 0.45
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
GALR3 O60755 1/20 0.44
MAPT P10636 2/20 0.43
PIK3CD O00329 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
SCHEMBL8705066 0.89 HTT (0.51) HTTMAPK1APPEGFRLMNA
SCHEMBL9037270 0.88 GALR3 (0.59) HTTMAPK1APPEGFRLMNA
SCHEMBL9038109 0.88 HTT (0.50) HTTMAPK1APPEGFRLMNA
SCHEMBL8707197 0.88 HTT (0.50) HTTMAPK1APPEGFRLMNA
SCHEMBL8401676 0.87 RAB9A (0.57) HTTLMNAGALR3ALDH1A1TSHR
SCHEMBL8026802 0.86 CDK1 (0.50) HTTMAPK1EGFRLMNAGALR3
SCHEMBL9039150 0.85 PDE2A (0.46) HTTEGFRLMNACNR1GALR3
SCHEMBL9037695 0.85 TP53 (0.51) HTTLMNAGALR3MAPTALDH1A1
SCHEMBL8504701 0.84 MAPK1 (0.51) HTTMAPK1APPEGFRLMNA
SCHEMBL5705464 0.84 MAPK1 (0.51) HTTMAPK1APPEGFRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7258223-A None JP disclosed
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use SDS BIOTECH K.K. (JP) 2012-05-31 US disclosed
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP disclosed
EP-0665225-B1 4-Phenethylamino pyrimidine derivative, process for preparing the same and agricultural and horticultural chemical for controlling noxious organisms containing the same UBE INDUSTRIES (JP) 1996-11-27 EP disclosed
US-5498612-A INSECTICIDE, ACARICIDE, FUNGICIDE, NEMATOCIDE UBE INDUSTRIES, LTD. (JP) 1996-03-12 US disclosed
JP-H07258223-A 4-PHENETHYLAMINOPYRIMIDINE DERIVATIVE, ITS PRODUCTION AND NOXIOUS LIFE CONTROLLING AGENT FOR AGRICULTURAL AND HORTICULTURAL USE UBE IND LTD 1995-10-09 JP disclosed
EP-0665225-A1 4-Phenethylamino pyrimidine derivative, process for preparing the same and agricultural and horticultural chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1995-08-02 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-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 HTT 2572/4885MAPK1 4076/4885APP 4160/4885

“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.