SCHEMBL8516608

SCHEMBL8516608

COc1ccc(Cl)cc1CCNc1ncnc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
HTT P42858 4/20 0.61
LDHA P00338 1/20 0.55
MAPK1 P28482 6/20 0.54
STAT1 P42224 1/20 0.54
EGFR P00533 3/20 0.53
LMNA P02545 1/20 0.53
PIK3CD O00329 2/20 0.51
PIK3R1 P27986 2/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
MEN1 O00255 1/20 0.51
STAT3 P40763 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.48
RAF1 P04049 1/20 0.48

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
SCHEMBL8483285 0.86 APP (0.68) APPSMN1; SMN2KDM4EALDH1A1NPSR1
SCHEMBL8504116 0.85 HTT (0.60) APPSMN1; SMN2KDM4EALDH1A1NPSR1
SCHEMBL11255561 0.84 APP (0.64) APPSMN1; SMN2KDM4EALDH1A1NPSR1
SCHEMBL8482469 0.82 HTT (0.68) APPSMN1; SMN2KDM4EALDH1A1NPSR1
SCHEMBL17001434 0.80 APP (1.00) APPSMN1; SMN2KDM4EHTTMAPK1
SCHEMBL9608061 0.80 APP (0.58) APPSMN1; SMN2KDM4EALDH1A1NPSR1
SCHEMBL11249955 0.78 PIK3CD (0.61) APPSMN1; SMN2KDM4EALDH1A1NPSR1
SCHEMBL11251409 0.78 PIK3CD (0.63) APPSMN1; SMN2KDM4EALDH1A1NPSR1
SCHEMBL11253996 0.77 PIK3CD (0.57) APPSMN1; SMN2KDM4EALDH1A1NPSR1
SCHEMBL8498818 0.77 HTT (0.61) APPSMN1; SMN2KDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 APP 4160/4885SMN1; SMN2 4679/4885KDM4E 1661/4885

“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.