SCHEMBL8516621

SCHEMBL8516621

CC(CC#Cc1ccc(F)cc1C(F)(F)F)Nc1ncnc2cc(F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LPAR2 Q9HBW0 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EGFR P00533 8/20 0.34
▸ TP53 P04637 1/20 0.34
▸ EPHA2 P29317 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ LPAR1 Q92633 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ KRAS P01116 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.32
▸ FBP1 P09467 1/20 0.32

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
SCHEMBL9608198 0.93 MEN1 (0.43) LPAR2MEN1KMT2AEGFRKDR
SCHEMBL9608154 0.92 GALR3 (0.41) LPAR2EGFRLPAR1AAK1
SCHEMBL12960924 0.86 IRAK4 (0.41) EGFR
SCHEMBL9608200 0.85 CNR1 (0.43) MEN1KMT2AEGFR
SCHEMBL9608115 0.84 RAB9A (0.42) MEN1KMT2AEGFR
SCHEMBL9608206 0.84 RPS6KB1 (0.40) LPAR2EGFRLPAR1KRASSOS1
SCHEMBL9608163 0.82 EGFR (0.39) MEN1KMT2AEGFRSOS1AAK1
SCHEMBL9608147 0.82 EGFR (0.45) LPAR2EGFRKDRLPAR1TRPV1
SCHEMBL9608157 0.81 GALR3 (0.43) LPAR2EGFRLPAR1AAK1
SCHEMBL9608153 0.81 GALR3 (0.41) LPAR2MEN1KMT2AEGFRLPAR1

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
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 LPAR2 4487/4885MEN1 1883/4885KMT2A 982/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 LPAR2 1454/4885MEN1 4853/4885KMT2A 1271/4885

“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.

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