SCHEMBL8516979

SCHEMBL8516979

COCc1ccccc1CCNc1ncnc2c(Cl)cc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PIK3CD O00329 2/20 0.40
PIK3R1 P27986 2/20 0.40
LDHA P00338 1/20 0.40
NR2F2 P24468 1/20 0.40
PDE5A O76074 6/20 0.40
TP53 P04637 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 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
SCHEMBL8483456 0.90 RXFP1 (0.42) KMT2AMAPK1KDM4EALDH1A1HTT
SCHEMBL8491743 0.86 RPS6KB1 (0.46) KMT2AMAPK1KDM4EALDH1A1HTT
SCHEMBL9608195 0.83 KMT2A (0.38) KMT2AMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8483606 0.83 HTT (0.61) MAPK1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL8484113 0.81 HTT (0.42) KMT2AMAPK1KDM4EALDH1A1HTT
SCHEMBL8504456 0.81 SMN1; SMN2 (0.62) KMT2AMAPK1KDM4EALDH1A1HTT
SCHEMBL8485494 0.78 RPS6KB1 (0.47) KMT2AMAPK1KDM4EALDH1A1HTT
SCHEMBL9609099 0.78 RPS6KB1 (0.52) KMT2AMAPK1KDM4EALDH1A1HTT
SCHEMBL9609208 0.77 RAB9A (0.40) KMT2AMAPK1KDM4EALDH1A1HTT
SCHEMBL8504575 0.77 RPS6KB1 (0.46) KMT2AMAPK1KDM4EALDH1A1HTT

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 KMT2A 1271/4885MAPK1 4076/4885KDM4E 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.