SCHEMBL9609147

SCHEMBL9609147

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LPAR2 Q9HBW0 1/20 0.39
▸ EGFR P00533 5/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ EPHA2 P29317 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ USP10 Q14694 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ USP13 Q92995 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL12960923 0.94 MEN1 (0.38) MEN1KMT2ALPAR2EGFRPDE1B
SCHEMBL8517042 0.93 MEN1 (0.49) MEN1KMT2ALPAR2EGFRPDE1B
SCHEMBL8516559 0.91 GALR3 (0.45) MEN1KMT2AEGFRIDO1KDR
SCHEMBL12960927 0.86 MEN1 (0.44) MEN1KMT2AEGFRPDE1BTP53
SCHEMBL8497996 0.84 CNR1 (0.46) MEN1KMT2AEGFRUSP10PIK3C3
SCHEMBL8490934 0.83 RAB9A (0.46) MEN1KMT2AEGFR
SCHEMBL8498949 0.81 PDE1B (0.43) LPAR2EGFRPDE1B
SCHEMBL8491653 0.80 EGFR (0.49) MEN1KMT2ALPAR2EGFRKDR
SCHEMBL9609149 0.80 GALR3 (0.45) MEN1KMT2AEGFR
SCHEMBL8516621 0.80 LPAR2 (0.36) MEN1KMT2ALPAR2EGFRTP53

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 1 patent. 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

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 MEN1 4853/4885KMT2A 1271/4885LPAR2 1454/4885

“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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