SCHEMBL24834005

SCHEMBL24834005

CN(C)/C=N/c1ncc2cc(C#N)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
GAA P10253 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 13/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 11/20 0.33
HTT P42858 4/20 0.32
LMNA P02545 3/20 0.32
HSD17B10 Q99714 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
GLA P06280 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL24378003 0.79 L3MBTL1 (0.36) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL22828906 0.79 L3MBTL1 (0.36) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL22828321 0.71 GAA (0.44) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL22828743 0.64 GAA (0.37) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL24378018 0.64 ALDH1A1 (0.37) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1354532 0.63 GAA (0.43) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1354531 0.63 GAA (0.43) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1355461 0.62 GAA (0.39) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1355462 0.62 GAA (0.39) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13810647 0.60 ALDH1A1 (0.43) MAPTGAAL3MBTL1ALDH1A1SMN1; SMN2

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-20230002393-A1 CDK KINASE INHIBITOR BEIJING BENICALL BIOTECH CO LTD (CN) 2023-01-05 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-20230002393-A1 CDK KINASE INHIBITOR CDK6, CDK4, CDK9 MAPT 2216/4885GAA 1585/4885L3MBTL1 3486/4885

“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.