SCHEMBL17622452

SCHEMBL17622452

CCOC(=O)Cn1cc(C(=N)N)c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 3/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 4/20 0.42
CYP2C19 P33261 4/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
CYP3A4 P08684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MITF O75030 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
SCHEMBL23211184 0.80 KMT2A (0.64) KMT2ALMNASMN1; SMN2CYP2C9MAPT
SCHEMBL3516690 0.80 KMT2A (0.68) KMT2ALMNAGSK3AGSK3B
SCHEMBL17622451 0.78 KMT2A (0.49) KMT2ALMNASMN1; SMN2CYP2C9MAPT
SCHEMBL4160782 0.77 KMT2A (0.64) KMT2ALMNATDP1GSK3AGSK3B
SCHEMBL17622450 0.74 KMT2A (1.00) KMT2ALMNASMN1; SMN2CYP2C9MAPT
SCHEMBL23211205 0.73 KMT2A (0.59) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL3519506 0.70 KMT2A (0.56) KMT2ALMNAALDH1A1
SCHEMBL23249559 0.70 KMT2A (0.51) KMT2ALMNASMN1; SMN2CYP2C9MAPT
SCHEMBL4170112 0.69 KMT2A (0.53) KMT2ALMNAMAPTGAAMEN1
SCHEMBL4162994 0.69 KMT2A (0.53) KMT2ALMNASMN1; SMN2MAPTGAA

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-11236130-B2 Divalent nucleobase compounds and uses therefor CARNEGIE MELLON UNIVERSITY (US) 2022-02-01 US disclosed
US-10370415-B2 Divalent nucleobase compounds and uses therefor CARNEGIE MELLON UNIVERSITY (US) 2019-08-06 US disclosed
US-20160083434-A1 DIVALENT NUCLEOBASE COMPOUNDS AND USES THEREFOR CARNEGIE MELLON UNIVERSITY (US) 2016-03-24 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 (3 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-11236130-B2 Divalent nucleobase compounds and uses therefor DNTT, PNKP, GNA11 KMT2A 2570/4885LMNA 1682/4885SMN1; SMN2 2117/4885
US-20160083434-A1 DIVALENT NUCLEOBASE COMPOUNDS AND USES THEREFOR DNTT, POLM, POLL KMT2A 2921/4885LMNA 1929/4885SMN1; SMN2 2424/4885
US-10370415-B2 Divalent nucleobase compounds and uses therefor DNTT, POLM, POLL KMT2A 2921/4885LMNA 1929/4885SMN1; SMN2 2424/4885

“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.