SCHEMBL8504916

SCHEMBL8504916

CC(Cc1ccc(Cl)cc1C(F)(F)F)Nc1ncnc(C(C)Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.33
▸ CNR2 P34972 4/20 0.33
▸ POLQ O75417 1/20 0.33
▸ LPAR1 Q92633 2/20 0.33
▸ LPAR2 Q9HBW0 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ P2RX7 Q99572 2/20 0.32
▸ HTT P42858 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ PAX8 Q06710 1/20 0.30

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
SCHEMBL8506583 0.92 CNR1 (0.34) CNR1CNR2POLQLPAR1LPAR2
SCHEMBL9609103 0.87 POLQ (0.36) CNR1CNR2POLQLPAR1LPAR2
SCHEMBL8516740 0.87 CNR1 (0.36) CNR1CNR2POLQLPAR1LPAR2
SCHEMBL9608234 0.81 LPAR1 (0.32) CNR1CNR2LPAR1LPAR2KDM4E
SCHEMBL8497454 0.80 CNR1 (0.33) CNR1CNR2POLQLPAR1LPAR2
SCHEMBL8505635 0.80 KDM4E (0.34) CNR1CNR2POLQLPAR1LPAR2
SCHEMBL8504666 0.80 TNF (0.45) NPSR1NPC1RAB9AMEN1KMT2A
SCHEMBL8507035 0.80 LPAR2 (0.51) CNR1CNR2LPAR1LPAR2TP53
SCHEMBL8506836 0.80 GALR3 (0.44) CNR1CNR2LPAR1LPAR2KDM4E
SCHEMBL8491891 0.78 CCR4 (0.40) CNR1CNR2POLQLPAR1LPAR2

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 CNR1 57/4885CNR2 30/4885POLQ 4188/4885

“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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