SCHEMBL22828906

SCHEMBL22828906

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 13/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 12/20 0.35
GAA P10253 7/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.33
GLA P06280 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 2/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30

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 0.82 L3MBTL1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL24834005 0.79 MAPT (0.39) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13810647 0.73 ALDH1A1 (0.43) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL24378018 0.72 ALDH1A1 (0.37) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL22828321 0.69 GAA (0.44) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL22828546 0.67
SCHEMBL22828545 0.67 HTT (0.32) HTTKMT2A
SCHEMBL2401906 0.60 L3MBTL1 (0.38) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12267661 0.60 L3MBTL1 (0.38) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1204337 0.60 ALDH1A1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A

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-20230002393-A1 CDK KINASE INHIBITOR BEIJING BENICALL BIOTECH CO LTD (CN) 2023-01-05 US disclosed
EP-3988551-A1 CDK KINASE INHIBITOR Beijing Benicall Biotech Co., Ltd. (CN) 2022-04-27 EP disclosed
WO-2020253458-A1 CDK KINASE INHIBITOR 北京睿熙生物科技有限公司 2020-12-24 WO 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 L3MBTL1 3486/4885ALDH1A1 2121/4885SMN1; SMN2 2572/4885

“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.