SCHEMBL9608230

SCHEMBL9608230

C(#Cc1ccccc1)CCNc1ncnc2[nH]ccc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.62
TTBK1 Q5TCY1 8/20 0.51
TTBK2 Q6IQ55 8/20 0.51
EGFR P00533 3/20 0.46
AURKB Q96GD4 3/20 0.46
JAK2 O60674 2/20 0.43
JAK1 P23458 1/20 0.43
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL9608007 0.80 HTT (0.59) EGFRAURKB
SCHEMBL9608229 0.80 BTK (0.41) BTKAURKBJAK2JAK1CDC7
SCHEMBL8505023 0.77 TTBK1 (0.75) BTKTTBK1TTBK2EGFRAURKB
SCHEMBL6122788 0.76 HTT (0.56)
SCHEMBL9608209 0.75 CHRNB2 (0.40) BTKEGFR
SCHEMBL23409027 0.74 TTBK1 (0.62) BTKTTBK1TTBK2HDAC6
SCHEMBL30485458 0.74 TTBK1 (0.62) BTKTTBK1TTBK2EGFRAURKB
SCHEMBL28451436 0.74 TTBK1 (0.62) BTKTTBK1TTBK2EGFRAURKB
SCHEMBL29665587 0.74 TTBK1 (0.62) BTKTTBK1TTBK2HDAC6
SCHEMBL4354437 0.74 JAK2 (0.68) BTKTTBK1TTBK2EGFRAURKB

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
WO-2011007839-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE 株式会社エス・ディー・エス バイオテック (JP) 2011-01-20 WO 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 BTK 3624/4885TTBK1 3588/4885TTBK2 2927/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 BTK 2488/4885TTBK1 4019/4885TTBK2 2112/4885

“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.