SCHEMBL4883759

SCHEMBL4883759

CCc1nc2ncnn2c(N)c1CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.53
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MBOAT4 Q96T53 11/20 0.43
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.39

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 0.91 ENPP1 (0.52) ENPP1HTTSMN1; SMN2MBOAT4GAA
SCHEMBL5108626 0.80 MBOAT4 (0.43) MBOAT4
SCHEMBL5099089 0.79 MBOAT4 (0.44) MBOAT4
SCHEMBL174682 0.79 GAA (0.45) HTTSMN1; SMN2MBOAT4GAA
SCHEMBL14081887 0.78 ENPP1 (0.60) ENPP1HTTSMN1; SMN2MBOAT4CYP3A4
SCHEMBL4694580 0.77 ENPP1 (0.53) ENPP1HTTSMN1; SMN2GAACYP3A4
SCHEMBL4879548 0.76 ENPP1 (0.52) ENPP1HTTSMN1; SMN2GAACYP3A4
SCHEMBL3133514 0.74 MBOAT4 (0.43) HTTSMN1; SMN2MBOAT4GAA
SCHEMBL373945 0.73 MBOAT4 (0.38) MBOAT4
SCHEMBL22968380 0.72 MBOAT4 (0.71) ENPP1MBOAT4

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 818/4885HTT 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.