SCHEMBL24409108

SCHEMBL24409108

Fc1ccn(-c2ccc(C3OCCO3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33

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
SCHEMBL27082306 0.78 MGLL (0.39) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL27166388 0.75 KCNH2 (0.45) KMT2A
SCHEMBL30872608 0.71 NOTUM (0.53) KMT2AMEN1CCNB2CDK1CCNB1
SCHEMBL24013579 0.71 ADRA1A (0.35) KMT2AMEN1
SCHEMBL24409353 0.71 CYP11B1 (0.33) KMT2AMEN1
SCHEMBL9451016 0.71 MEN1 (0.44) KMT2AMEN1CCNB2CDK1CCNB1
SCHEMBL29503091 0.70 CYP2C9 (0.47) KMT2A
SCHEMBL1964902 0.69 MEN1 (0.50) KMT2AMEN1CCNB2CDK1CCNB1
SCHEMBL24409428 0.69 RAB9A (0.33) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL24409109 0.67 ALDH1A1 (0.51) KMT2A

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
CN-117327078-A Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-01-02 CN disclosed
CN-117263945-A Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-12-22 CN disclosed
CN-113316578-B Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-10-31 CN disclosed
US-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF ELLIPSES PHARMA LTD (GB) 2022-05-12 US disclosed
CN-113316578-A Heterocyclic compounds, pharmaceutical compositions containing them, processes for their preparation and their use 四川科伦博泰生物医药股份有限公司 2021-08-27 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-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF NOTUM, FURIN, CYP4A11 KMT2A 3761/4885MEN1 25/4885CCNB2 3556/4885

“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.