SCHEMBL5103140

SCHEMBL5103140

Nc1nc2ncnn2c(N)c1-c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ RCE1 Q9Y256 1/20 0.51
▸ HPGD P15428 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ MBOAT4 Q96T53 1/20 0.47
▸ L3MBTL1 Q9Y468 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ BLM P54132 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ THRB P10828 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ BRCA1 P38398 2/20 0.41
▸ RECQL P46063 2/20 0.41

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
SCHEMBL5653328 0.78 ADORA2A (0.46) KDM4EALDH1A1RCE1HPGDSMN1; SMN2
SCHEMBL6009722 0.71 MBOAT4 (0.38) KDM4EALDH1A1RCE1HPGDSMN1; SMN2
SCHEMBL3548828 0.67 ADORA2A (0.68) KDM4EALDH1A1TDP1ADORA2AADORA1
SCHEMBL22968393 0.66 MBOAT4 (1.00) MBOAT4
SCHEMBL5229531 0.65 ALDH1A1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL10372114 0.65 NPC1 (0.56) KDM4EALDH1A1HPGDSMN1; SMN2MBOAT4
SCHEMBL14373948 0.63 USP2 (0.48) KDM4EALDH1A1MBOAT4MEN1KMT2A
SCHEMBL14491199 0.63 ALDH1A1 (0.49) ALDH1A1MBOAT4
SCHEMBL5225381 0.62 KDM4E (0.52) KDM4EALDH1A1HPGDSMN1; SMN2MBOAT4
SCHEMBL30153455 0.62 ADORA2A (0.61) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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-20080070932-A1 Triazolo[ 1,5-A] Pyrimidines And Pyrazolo[ 1,5-A] Pyrimidines And Methods Of Making And Using The Same BIOGEN IDEC MA INC. 2008-03-20 — — 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-20080070932-A1 Triazolo[ 1,5-A] Pyrimidines And Pyrazolo[ 1,5-A] Pyrimidines And Methods Of Making And Using The Same ADORA2B, ADORA2A, ADORA1 KDM4E 2805/4885ALDH1A1 279/4885RCE1 2666/4885

“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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