SCHEMBL9609149

SCHEMBL9609149

Cc1ccc(CC(C)Nc2ncnc3ccccc23)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.45
▸ NR2F2 P24468 1/20 0.45
▸ EGFR P00533 4/20 0.44
▸ HTT P42858 3/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ LDHA P00338 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL8491653 0.89 EGFR (0.49) GALR3NR2F2EGFRHTTABCG2
SCHEMBL8516559 0.89 GALR3 (0.45) GALR3NR2F2EGFRHTTMAPK1
SCHEMBL8484019 0.88 GALR3 (0.47) GALR3NR2F2EGFRHTTMAPK1
SCHEMBL8506836 0.88 GALR3 (0.44) GALR3NR2F2EGFRHTTNPC1
SCHEMBL8516838 0.88 GALR3 (0.50) GALR3NR2F2EGFRHTTMAPK1
SCHEMBL12960923 0.87 MEN1 (0.38) EGFRIRAK4KMT2AMEN1
SCHEMBL8483522 0.86 KRAS (0.48) GALR3NR2F2EGFRHTTMAPK1
SCHEMBL12960876 0.83 EGFR (0.50) GALR3NR2F2EGFRHTTHIF1A
SCHEMBL8516911 0.80 EGFR (0.49) GALR3NR2F2EGFRHTTABCG2
SCHEMBL9609147 0.80 MEN1 (0.41) EGFRKMT2AMEN1

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 GALR3 597/4885NR2F2 910/4885EGFR 2442/4885

“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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