SCHEMBL24030971

SCHEMBL24030971

O=C(Cc1cccnc1)Nc1cc(Br)c(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
WNT1 P04628 1/20 0.50
GSK3B P49841 1/20 0.50
DYRK1A Q13627 1/20 0.50
CDK9 P50750 1/20 0.47
PTGER1 P34995 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RORC P51449 2/20 0.46
CHEK1 O14757 1/20 0.46
RAB9A P51151 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MAPK8 P45983 1/20 0.46
WNT3A P56704 2/20 0.45
GLS O94925 1/20 0.45
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
NAPRT Q6XQN6 1/20 0.44

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
SCHEMBL24031301 0.86 WNT3A (0.53) WNT1GSK3BDYRK1ACDK9MEN1
SCHEMBL25810554 0.81 MEN1 (0.57) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL29800096 0.80 MEN1 (0.44) MEN1KMT2ARAB9AMAPK8
SCHEMBL25250914 0.80 MEN1 (0.44) MEN1KMT2ARAB9AMAPK8
SCHEMBL16879390 0.80 MEN1 (0.64) CYP1A2CYP3A4CYP2C9WNT1GSK3B
SCHEMBL24031245 0.79 LMNA (0.49) CYP3A4MEN1KMT2ARORCMKNK1
SCHEMBL30489973 0.79 LMNA (0.49) CYP3A4MEN1KMT2ARORCMKNK1
SCHEMBL24031257 0.79 L3MBTL1 (0.47) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL30489964 0.78 MEN1 (0.42) MEN1KMT2ARAB9A
SCHEMBL28627675 0.78 MEN1 (0.42) MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-07-13 US disclosed
CN-115340555-A Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2022-11-15 CN disclosed
CN-113173924-B Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2022-07-19 CN disclosed
WO-2021227906-A1 PYRIDINE ACETAMIDE DERIVATIVE SERVING AS CDK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2021-11-18 WO disclosed
CN-113173924-A Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2021-07-27 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-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof CDK9, CDK7, CDK8 CYP1A2 1973/4885CYP3A4 598/4885CYP2C9 330/4885

“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.