SCHEMBL24035530

SCHEMBL24035530

CC(C)(CC(=O)O)Cn1cc(C#N)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EGLN2 Q96KS0 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL24035522 0.88 GAA (0.31) GAASMN1; SMN2
SCHEMBL24035535 0.85 POLB (0.34) GAASMN1; SMN2ALDH1A1KDM4EEGLN1
SCHEMBL24031578 0.78 GAA (0.34) GAASMN1; SMN2ALDH1A1KDM4EFFAR1
SCHEMBL30161775 0.75 ALDH1A1 (0.31) ALDH1A1KDM4EFFAR1CPT2TDP1
SCHEMBL9463510 0.67 HPGD (0.32) ALDH1A1
SCHEMBL27344325 0.67 CSNK2A1 (0.36)
SCHEMBL24035650 0.67 GAA (0.34) GAASMN1; SMN2
SCHEMBL27324889 0.65 MEN1 (0.36)
SCHEMBL24031584 0.64 GAA (0.34) GAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27408540 0.64 GPR119 (0.38) EGLN2

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
WO-2021227904-A1 POLYCYCLIC AMIDE DERIVATIVE AS CDK9 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2021-11-18 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-20230192703-A1 Polycyclic amide derivative as CDK9 inhibitor, preparation method therefor and use thereof CDK9, CDK8, CDK19 GAA 4269/4885SMN1; SMN2 4642/4885ALDH1A1 4012/4885

“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.