SCHEMBL8497510

SCHEMBL8497510

CC(Cc1ccc(Cl)cc1C(F)(F)F)Nc1ncnc2cccc(F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.37
▸ CNR2 P34972 4/20 0.37
▸ FLT1 P17948 4/20 0.36
▸ KDR P35968 4/20 0.36
▸ FGFR1 P11362 3/20 0.36
▸ FLT4 P35916 2/20 0.36
▸ EPHB2 P29323 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ XIAP P98170 1/20 0.35
▸ BIRC2 Q13490 1/20 0.35
▸ LPAR1 Q92633 1/20 0.34
▸ LPAR2 Q9HBW0 1/20 0.34
▸ EGFR P00533 2/20 0.34

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
SCHEMBL8506564 0.91 CNR1 (0.38) CNR1CNR2PIK3CDPIK3CAPIK3CB
SCHEMBL8506836 0.85 GALR3 (0.44) CNR1CNR2KMT2AMEN1LPAR1
SCHEMBL8491976 0.84 LPAR1 (0.45) CNR1CNR2NR1H2NR1H3LPAR1
SCHEMBL9608201 0.82 PIK3CA (0.35) CNR1CNR2FLT1KDRFGFR1
SCHEMBL8517042 0.81 MEN1 (0.49) CNR1CNR2FLT1KDRFGFR1
SCHEMBL8497996 0.81 CNR1 (0.46) CNR1CNR2KMT2AMEN1EGFR
SCHEMBL8507035 0.81 LPAR2 (0.51) CNR1CNR2NR1H2NR1H3LPAR1
SCHEMBL9609103 0.79 POLQ (0.36) CNR1CNR2LPAR1LPAR2EGFR
SCHEMBL8516740 0.79 CNR1 (0.36) CNR1CNR2LPAR1LPAR2EGFR
SCHEMBL8497982 0.79 LPAR1 (0.47) CNR1CNR2NR1H2NR1H3LPAR1

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 3 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
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 (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 CNR1 57/4885CNR2 30/4885FLT1 3419/4885

“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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