SCHEMBL8505635

SCHEMBL8505635

Cc1ncnc(NC(C)Cc2ccc(Cl)cc2C(F)(F)F)c1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ 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
▸ P2RX7 Q99572 2/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ AKT1 P31749 2/20 0.31
▸ TMPRSS4 Q9NRS4 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL9609103 0.89 POLQ (0.36) KDM4EALDH1A1POLBNPSR1CNR1
SCHEMBL8497454 0.87 CNR1 (0.33) KDM4EALDH1A1POLBNPSR1CNR1
SCHEMBL8516740 0.82 CNR1 (0.36) KDM4EALDH1A1POLBNPSR1CNR1
SCHEMBL8506583 0.81 CNR1 (0.34) KDM4EALDH1A1POLBNPSR1CNR1
SCHEMBL9608237 0.81 LPAR1 (0.32) KDM4EALDH1A1POLBNPSR1CNR1
SCHEMBL8504916 0.80 CNR1 (0.33) KDM4EALDH1A1POLBNPSR1CNR1
SCHEMBL8507035 0.80 LPAR2 (0.51) CNR1CNR2LPAR1LPAR2AKT1
SCHEMBL8506836 0.80 GALR3 (0.44) KDM4EALDH1A1NPSR1CNR1CNR2
SCHEMBL8504821 0.79 LPAR2 (0.45) CNR1CNR2LPAR1LPAR2AKT1
SCHEMBL8506564 0.78 CNR1 (0.38) 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 KDM4E 1661/4885ALDH1A1 2127/4885POLB 3553/4885

“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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