SCHEMBL9607985

SCHEMBL9607985

COc1cc(OC)nc(C#CCCNc2ncnc3sccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 5/20 0.53
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
GALR3 O60755 1/20 0.53
NR2F2 P24468 1/20 0.53
TNF P01375 2/20 0.49
NOD1 Q9Y239 2/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
TSHR P16473 1/20 0.42

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
SCHEMBL9607984 0.86 RAB9A (0.47) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL8505377 0.82 RAB9A (0.68) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL8483363 0.81 RAB9A (0.64) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL9607983 0.81 HTT (0.59) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL8515605 0.81 KMT2A (0.57) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL8482846 0.80 RAB9A (0.49) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL9607960 0.79 NPC1 (0.57) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL9607959 0.79 KMT2A (0.61) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL12960945 0.78 HTT (0.47) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL9608000 0.77 RAB9A (0.47) RAB9ANPC1HTTSMN1; SMN2LMNA

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
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
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

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 RAB9A 3469/4885NPC1 2684/4885HTT 890/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 RAB9A 4200/4885NPC1 4452/4885HTT 2572/4885

“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.