SCHEMBL30161365

SCHEMBL30161365

CC1(C)Cc2c(-c3ccnc(N)c3)cc(C#N)n2C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.37
GSK3B P49841 3/20 0.37
CDC7 O00311 3/20 0.37
TGFBR1 P36897 1/20 0.36
CDK9 P50750 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
DBF4 Q9UBU7 2/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPA Q5VT25 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
PIK3CD O00329 1/20 0.32
BUB1 O43683 1/20 0.31
CCNT1 O60563 1/20 0.31
BRAF P15056 1/20 0.30
MAPK3 P27361 1/20 0.30
MAPK1 P28482 1/20 0.30
KCNH2 Q12809 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
SCHEMBL24031008 1.00 DYRK1A (0.37) DYRK1AGSK3BCDC7TGFBR1CDK9
SCHEMBL25635442 0.87 GRM2 (0.37) TGFBR1CDK9CCNT1
SCHEMBL24036203 0.79 NOS3 (0.33) CDK9PIK3CDCCNT1
Bicarbonate SCHEMBL28629530 0.78 TGFBR1 (0.42) TGFBR1CDK9BUB1
SCHEMBL29799769 0.78 CDK9 (0.36) GSK3BCDK9PIK3CDCCNT1
SCHEMBL24031553 0.78 CDK9 (0.36) GSK3BCDK9PIK3CDCCNT1
SCHEMBL24035558 0.78 CDK9 (0.37) CDK9PIK3CDCCNT1
SCHEMBL25635441 0.77 DYRK1A (0.38) DYRK1AGSK3BCDC7AAK1ROCK1
SCHEMBL30161692 0.75 SYK (0.35) CDK9AAK1BUB1CCNT1
SCHEMBL24031011 0.75 SYK (0.35) CDK9AAK1BUB1CCNT1

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-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
EP-4141004-A1 POLYCYCLIC AMIDE DERIVATIVE AS CDK9 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-03-01 EP disclosed
CN-113149996-B Polycyclic amide derivative as CDK9 inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2022-12-20 CN 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 1067/4885CDC7 97/4885

“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.