SCHEMBL8516930

SCHEMBL8516930

CCOC(=O)C(Cc1ccccc1C(F)(F)F)Nc1ncnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ ITGB1 P05556 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ SENP8 Q96LD8 2/20 0.43
▸ SENP7 Q9BQF6 2/20 0.43
▸ SENP6 Q9GZR1 2/20 0.43
▸ EPHX2 P34913 5/20 0.43
▸ PPARG P37231 4/20 0.43
▸ KDR P35968 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9608170 0.82 RAB9A (0.43) RAB9AITGB1ITGA4KMT2AMEN1
SCHEMBL8497711 0.82 ITGB1 (0.60) RAB9AITGB1ITGA4KMT2AMEN1
SCHEMBL8516838 0.80 GALR3 (0.50) RAB9AKMT2AMEN1LMNAMAPT
SCHEMBL8516909 0.76 GALR3 (0.51) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL9608169 0.73 KMT2A (0.48) RAB9AITGB1ITGA4KMT2AMEN1
SCHEMBL20543669 0.73 EPHX2 (0.43) RAB9AKDM4ENPC1EPHX2PPARG
SCHEMBL9054494 0.71 EPHX2 (0.54) KMT2AMEN1GAAKDM4EEPHX2
SCHEMBL9609149 0.71 GALR3 (0.45) RAB9AKMT2AMEN1LMNAPOLB
SCHEMBL30587068 0.71 ALDH1A1 (0.64) RAB9AITGB1ITGA4KMT2AMEN1
SCHEMBL29416420 0.71 ALDH1A1 (0.64) RAB9AITGB1ITGA4KMT2AMEN1

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 RAB9A 4200/4885ITGB1 4486/4885ITGA4 4306/4885

“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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