SCHEMBL8497690

SCHEMBL8497690

COc1ccccc1CC(C)Nc1ncnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2F2 P24468 2/20 0.51
▸ GALR3 O60755 1/20 0.51
▸ MAPK1 P28482 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ ABCG2 Q9UNQ0 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.47
▸ CLK4 Q9HAZ1 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL8490462 0.85 NR2F2 (0.51) NR2F2GALR3MAPK1SMN1; SMN2ALDH1A1
SCHEMBL11245912 0.84 ABCG2 (0.53) NR2F2GALR3MAPK1SMN1; SMN2ALDH1A1
SCHEMBL8516748 0.82 GALR3 (0.53) NR2F2GALR3MAPK1SMN1; SMN2ALDH1A1
SCHEMBL8505866 0.81 KMT2A (0.68) NR2F2GALR3SMN1; SMN2LMNAEGFR
SCHEMBL4859108 0.79 MAPK1 (0.76) NR2F2MAPK1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL8516838 0.79 GALR3 (0.50) NR2F2GALR3MAPK1SMN1; SMN2ALDH1A1
SCHEMBL11254153 0.79 LDHA (0.61) NR2F2GALR3MAPK1SMN1; SMN2NPSR1
SCHEMBL8516852 0.79 NR2F2 (0.62) NR2F2GALR3MAPK1SMN1; SMN2NPSR1
SCHEMBL8490828 0.78 GALR3 (0.49) NR2F2GALR3MAPK1SMN1; SMN2ALDH1A1
SCHEMBL9608143 0.78 NR2F2 (0.46) NR2F2GALR3MAPK1SMN1; SMN2ALDH1A1

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 NR2F2 910/4885GALR3 597/4885MAPK1 4076/4885

“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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