SCHEMBL9609103

SCHEMBL9609103

Cc1ncnc(NC(C)Cc2ccc(Cl)cc2C(F)(F)F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.36
▸ CNR1 P21554 5/20 0.34
▸ CNR2 P34972 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LPAR1 Q92633 2/20 0.33
▸ LPAR2 Q9HBW0 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ P2RX7 Q99572 2/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NR2E3 Q9Y5X4 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ EGFR P00533 1/20 0.32

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
SCHEMBL8505635 0.89 KDM4E (0.34) POLQCNR1CNR2ALDH1A1LPAR1
SCHEMBL8497454 0.89 CNR1 (0.33) POLQCNR1CNR2ALDH1A1LPAR1
SCHEMBL8516740 0.89 CNR1 (0.36) POLQCNR1CNR2ALDH1A1LPAR1
SCHEMBL8506583 0.88 CNR1 (0.34) POLQCNR1CNR2ALDH1A1LPAR1
SCHEMBL8504916 0.87 CNR1 (0.33) POLQCNR1CNR2ALDH1A1LPAR1
SCHEMBL8507035 0.81 LPAR2 (0.51) CNR1CNR2LPAR1LPAR2TP53
SCHEMBL8506836 0.81 GALR3 (0.44) CNR1CNR2ALDH1A1LPAR1LPAR2
SCHEMBL8504821 0.81 LPAR2 (0.45) CNR1CNR2LPAR1LPAR2PPARG
SCHEMBL8497982 0.80 LPAR1 (0.47) CNR1CNR2LPAR1LPAR2EGFR
SCHEMBL8506564 0.80 CNR1 (0.38) POLQCNR1CNR2LPAR1LPAR2

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 1 patent. 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

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

“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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