SCHEMBL25635441

SCHEMBL25635441

CC1Cc2c(-c3ccnc(N)c3)cc(C#N)n2C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.38
GSK3B P49841 3/20 0.38
ROCK1 Q13464 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
CDC42BPB Q9Y5S2 1/20 0.34
GRM2 Q14416 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
CDC7 O00311 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
ACVR1 Q04771 1/20 0.31
BUB1 O43683 1/20 0.31
BRAF P15056 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
BRD4 O60885 1/20 0.31
KCNH2 Q12809 1/20 0.31
USP7 Q93009 1/20 0.31

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
SCHEMBL30161365 0.77 DYRK1A (0.37) DYRK1AGSK3BROCK1CDC42BPACDC42BPB
SCHEMBL24031008 0.77 DYRK1A (0.37) DYRK1AGSK3BROCK1CDC42BPACDC42BPB
SCHEMBL28447012 0.67 DYRK1A (0.43) DYRK1AGSK3BAAK1CDC7MKNK1
SCHEMBL25635442 0.63 GRM2 (0.37) GRM2BRD4
SCHEMBL3366217 0.62 KCNH2 (0.52) DYRK1AGSK3BAAK1CDC7KCNH2
SCHEMBL23809629 0.61 MYC (0.57) DYRK1AGSK3BAAK1MKNK1MKNK2
SCHEMBL4402187 0.61 DYRK1A (0.63) DYRK1AAAK1MKNK1MKNK2
SCHEMBL30935767 0.61 DYRK1A (0.63) DYRK1AAAK1MKNK1MKNK2
SCHEMBL3397985 0.60 DYRK1A (0.54) DYRK1AGSK3BAAK1CDC7MKNK1
SCHEMBL29432635 0.60 DYRK1A (0.54) DYRK1AGSK3BAAK1CDC7MKNK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192703-A1 Polycyclic amide derivative as CDK9 inhibitor, preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-06-22 US disclosed
US-20230192703-A1 Polycyclic amide derivative as CDK9 inhibitor, preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-06-22 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-20230192703-A1 Polycyclic amide derivative as CDK9 inhibitor, preparation method therefor and use thereof CDK9, CDK8, CDK19 DYRK1A 1507/4885GSK3B 1067/4885ROCK1 721/4885

“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.