SCHEMBL4694580

SCHEMBL4694580

CCCc1nc2ncnn2c(O)c1CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 7/20 0.53
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4879793 0.86 ENPP1 (0.52) ENPP1HTTSMN1; SMN2GAA
SCHEMBL4879548 0.86 ENPP1 (0.52) ENPP1HTTSMN1; SMN2CYP3A4GAA
SCHEMBL2589386 0.74 ENPP1 (0.53) ENPP1HTTSMN1; SMN2CYP3A4GAA
SCHEMBL7310843 0.73 SLC33A1 (0.41)
SCHEMBL5232567 0.72 MAPT (0.44) ENPP1HTTSMN1; SMN2GAAMEN1
SCHEMBL2582203 0.72 ENPP1 (0.51) ENPP1HTTSMN1; SMN2GAATSHR
SCHEMBL14337399 0.72 MBOAT4 (0.38) MEN1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL9770335 0.71 HSD17B10 (0.56) ENPP1HTTSMN1; SMN2CYP3A4MEN1
SCHEMBL3318957 0.69 HTT (0.45) ENPP1HTTSMN1; SMN2GAAMEN1
SCHEMBL10493808 0.69 HSD17B10 (0.50) ENPP1HTTSMN1; SMN2GAAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188494-A1 Use Of 5-Alkyl-6-Phenylalkyl-7-Aminoazolopyrimidines, Novel Azolopyrimidines, Processes For Their Preparation And Compositions Comprising Them BASF AKTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
EP-1876899-A2 USE OF 5-ALKYL-6-PHENYLALKYL-7-AMINO-AZOLOPYRIMIDINES, NOVEL AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2008-01-16 EP disclosed
WO-2006114405-A2 USE OF 5-ALKYL-6-PHENYLALKYL-7-AMINO-AZOLOPYRIMIDINES, NOVEL AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-11-02 WO 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-20080188494-A1 Use Of 5-Alkyl-6-Phenylalkyl-7-Aminoazolopyrimidines, Novel Azolopyrimidines, Processes For Their Preparation And Compositions Comprising Them RRM2, PNP, NT5C3B ENPP1 818/4885HTT 2740/4885SMN1; SMN2 3970/4885

“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.