SCHEMBL4879548

SCHEMBL4879548

CCCc1nc2ncnn2c(Cl)c1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 3/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL4694580 0.86 ENPP1 (0.53) ENPP1SMN1; SMN2HTTALDH1A1GAA
SCHEMBL4879793 0.85 ENPP1 (0.52) ENPP1SMN1; SMN2HTTGAA
SCHEMBL5231751 0.72 KDM4E (0.44) ENPP1SMN1; SMN2HTTALDH1A1GAA
SCHEMBL5227567 0.71 MBOAT4 (0.40) ALDH1A1GAAL3MBTL1LMNARAB9A
SCHEMBL5672954 0.68 ALDH1A1 (0.40) ENPP1SMN1; SMN2HTTALDH1A1GAA
SCHEMBL5593524 0.67 GAA (0.47) ENPP1SMN1; SMN2HTTALDH1A1GAA
SCHEMBL1646899 0.65 ALDH1A1 (0.50) ENPP1SMN1; SMN2HTTALDH1A1GAA
SCHEMBL3130141 0.65 GAA (0.45) SMN1; SMN2HTTGAA
SCHEMBL5402153 0.65 GAA (0.45) SMN1; SMN2HTTGAA
SCHEMBL3133063 0.65 GAA (0.45) SMN1; SMN2HTTGAA

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-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

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 818/4885SMN1; SMN2 3970/4885HTT 2740/4885

“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.