SCHEMBL24035535

SCHEMBL24035535

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EGLN1 Q9GZT9 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TBXA2R P21731 1/20 0.30
CNR1 P21554 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
SCHEMBL24035530 0.85 GAA (0.32) GAAKDM4EEGLN1SMN1; SMN2ALDH1A1
SCHEMBL24035522 0.84 GAA (0.31) GAASMN1; SMN2
SCHEMBL24031584 0.80 GAA (0.34) POLBGAAMAPTKDM4ECYP1A2
SCHEMBL30161748 0.77 EGLN1 (0.32) EGLN1
SCHEMBL27509001 0.67 GPR35 (0.39) POLBHTTMAPTKDM4ECYP3A4
SCHEMBL27408540 0.64 GPR119 (0.38)
SCHEMBL25810452 0.64 GAA (0.34) GAASMN1; SMN2
SCHEMBL24035650 0.64 GAA (0.34) GAASMN1; SMN2
SCHEMBL24031578 0.64 GAA (0.34) GAAKDM4ESMN1; SMN2ALDH1A1TBXA2R
SCHEMBL27344325 0.64 CSNK2A1 (0.36) CYP11B1CYP11B2

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 POLB 1638/4885HTT 3915/4885GAA 4269/4885

“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.