SCHEMBL8516852

SCHEMBL8516852

CC(Cc1ccccc1)Nc1ncnc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 4/20 0.62
GALR3 O60755 3/20 0.62
EGFR P00533 5/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
APP P05067 1/20 0.55
ERBB2 P04626 2/20 0.50
AURKB Q96GD4 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
ITGB1 P05556 1/20 0.50
ITGA4 P13612 1/20 0.50
DAPK3 O43293 1/20 0.50
MAP4K4 O95819 1/20 0.50
ABL1 P00519 1/20 0.50
PIM1 P11309 1/20 0.50
PRKACA P17612 1/20 0.50

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
SCHEMBL8490824 0.90 NR2F2 (0.55) NR2F2GALR3EGFRRAB9ALMNA
SCHEMBL8498936 0.89 NR2F2 (0.53) NR2F2GALR3EGFRRAB9ALMNA
SCHEMBL8504539 0.89 EGFR (0.61) NR2F2GALR3EGFRRAB9ALMNA
SCHEMBL8497721 0.86 NR2F2 (0.59) NR2F2GALR3EGFRRAB9ALMNA
SCHEMBL8497655 0.86 NR2F2 (0.50) NR2F2GALR3EGFRRAB9ALMNA
SCHEMBL13283199 0.83 GALR3 (0.63) NR2F2GALR3EGFRRAB9ALMNA
SCHEMBL4572178 0.83 GALR3 (0.63) NR2F2GALR3EGFRRAB9ALMNA
SCHEMBL28681710 0.82 GALR3 (0.61) NR2F2GALR3EGFRRAB9ALMNA
SCHEMBL28681711 0.82 GALR3 (0.61) NR2F2GALR3EGFRRAB9ALMNA
SCHEMBL8504743 0.81 GALR3 (0.61) NR2F2GALR3EGFRRAB9ALMNA

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 NR2F2 910/4885GALR3 597/4885EGFR 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.