SCHEMBL8504513

SCHEMBL8504513

CC(Cc1cccc(C(F)(F)F)c1)Nc1ncnc2sccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ HTR2B P41595 2/20 0.49
▸ SIGMAR1 Q99720 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TNF P01375 1/20 0.49
▸ NOD1 Q9Y239 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ HTR2C P28335 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL8491611 0.87 RAB9A (0.50) RAB9ALMNATNFNOD1TSHR
SCHEMBL9609095 0.83 RAB9A (0.46) RAB9ATNFNOD1TSHRFDPS
SCHEMBL8491417 0.83 TNF (0.66) RAB9ALMNATNFNOD1MAPT
SCHEMBL8506789 0.81 RAB9A (0.45) RAB9ALMNATNFNOD1FDPS
SCHEMBL8491649 0.81 TNF (0.45) RAB9ALMNATNFNOD1MAPT
SCHEMBL9608100 0.81 RAB9A (0.45) RAB9ATNFNOD1TSHRFDPS
SCHEMBL8485392 0.81 RAB9A (0.46) RAB9ATNFNOD1TSHRFDPS
SCHEMBL8506195 0.79 HTT (0.58) RAB9ALMNATNFNOD1TSHR
SCHEMBL8483529 0.78 MEN1 (0.56) RAB9ALMNATNFNOD1TSHR
SCHEMBL8516358 0.78 RAB9A (0.54) RAB9ALMNATNFNOD1TSHR

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 2 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

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 4200/4885HTR2A 572/4885HTR2B 963/4885

“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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