SCHEMBL24409265

SCHEMBL24409265

O=Cc1ccc(-c2ccnn2C2CCCCO2)nc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 6/20 0.58
CYP4A11 Q02928 6/20 0.58
ATR Q13535 13/20 0.43
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL22070857 0.87 CYP4F2 (0.68) CYP4F2CYP4A11ATRALDH1A1
SCHEMBL19277442 0.82 CYP4F2 (0.64) CYP4F2CYP4A11ATR
SCHEMBL9977805 0.82 CYP4F2 (0.58) CYP4F2CYP4A11ATR
SCHEMBL30509486 0.82 CYP4F2 (0.58) CYP4F2CYP4A11ATR
SCHEMBL18034742 0.82 CYP4F2 (0.57) CYP4F2CYP4A11ATRALDH1A1LMNA
SCHEMBL21414800 0.82 CYP4F2 (0.48) CYP4F2CYP4A11ATRALDH1A1LMNA
SCHEMBL19277056 0.80 CYP4F2 (0.68) CYP4F2CYP4A11ATR
SCHEMBL9977842 0.80 CYP4F2 (0.54) CYP4F2CYP4A11ATR
SCHEMBL19276681 0.80 CYP4F2 (0.65) CYP4F2CYP4A11ATR
SCHEMBL13734367 0.78 CYP4F2 (0.53) CYP4F2CYP4A11ATRALDH1A1

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 4 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

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 CYP4F2 154/4885CYP4A11 3/4885ATR 4594/4885

“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.