SCHEMBL8492003

SCHEMBL8492003

Fc1cc2ncnc(NCCC#Cc3ccc(Cl)cc3C(F)(F)F)c2cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
NTRK1 P04629 4/20 0.43
HTT P42858 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AURKA O14965 3/20 0.41
PIK3CD O00329 2/20 0.39
PIK3R1 P27986 2/20 0.39
NR2F2 P24468 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39

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
SCHEMBL12960835 0.88 LMNA (0.40) CYP1A2CYP2D6NTRK1HTTAURKA
SCHEMBL9608062 0.87 HTT (0.50) CYP1A2CYP2D6HTTKMT2APIK3CD
SCHEMBL10445111 0.84 CYP1A2 (0.37) CYP1A2CYP2D6NTRK1HTTMEN1
SCHEMBL9608175 0.83 CYP1A2 (0.52) CYP1A2CYP2D6HTTPIK3CDPIK3R1
SCHEMBL9608174 0.83 ALDH1A1 (0.47) CYP1A2CYP2D6HTTMEN1KMT2A
SCHEMBL9608212 0.81 POLB (0.35) CYP1A2CYP2D6HTTPIK3CDPIK3R1
SCHEMBL8504219 0.78 HTT (0.54) CYP1A2CYP2D6HTTMEN1KMT2A
SCHEMBL9608227 0.78 CYP1A2 (0.32) CYP1A2CYP2D6HTT
SCHEMBL9608054 0.78 HTT (0.44) CYP1A2CYP2D6HTTMEN1KMT2A
SCHEMBL8498103 0.76 CYP1A2 (0.45) CYP1A2CYP2D6PIK3CDPIK3R1EGFR

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-9089139-B2 Agri-horticultural pest control compositions comprising 4-(3-butynyl)aminopyrimidine derivatives SDS BIOTECH K. K. (JP) 2015-07-28 US disclosed
US-9089139-B2 Agri-horticultural pest control compositions comprising 4-(3-butynyl)aminopyrimidine derivatives SDS BIOTECH K. K. (JP) 2015-07-28 US disclosed
US-8586505-B2 4-(3-butynyl)aminopyrimidine derivatives as pest control agents for agricultural and horticultural use SDS BIOTECH K. K. (JP) 2013-11-19 US disclosed
US-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives SDS BIOTECH K.K. (JP) 2013-11-07 US disclosed
US-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives SDS BIOTECH K.K. (JP) 2013-11-07 US disclosed
WO-2012096115-A1 FLUORINE-CONTAINING QUINAZOLINE-DERIVED PEST-CONTROL AGENT FOR USE IN AGRICULTURE AND HORTICULTURE 株式会社エス・ディー・エス バイオテック (JP) 2012-07-19 WO 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
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

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-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives HCN1, HCN2, HCN3 CYP1A2 2322/4885CYP2D6 395/4885NTRK1 3019/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 CYP1A2 169/4885CYP2D6 779/4885NTRK1 2768/4885

“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.