SCHEMBL24780428

SCHEMBL24780428

Cc1cc2c(cnn2C2CCCCO2)c(/C=N/[S+]([O-])C(C)(C)C)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.35
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ ATR Q13535 2/20 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
SCHEMBL29344497 0.87 CYP4F2 (0.34) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL24779651 0.81 CYP4F2 (0.41) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL29563167 0.80 CYP4F2 (0.40) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL24460667 0.80 CYP4F2 (0.40) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL30932779 0.79 RXRA (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29937341 0.77 CYP4F2 (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21196104 0.74 CYP4F2 (0.42) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL29563445 0.74 CYP4F2 (0.42) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL21196042 0.74 CYP4F2 (0.47) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL23546397 0.73 CYP4F2 (0.43) KRASCYP4F2CYP4A11RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151004-A1 PYRIMIDOHETEROCYCLIC COMPOUNDS AND APPLICATION THEREOF D3 BIO (WUXI) CO., LTD (CN) 2023-05-18 — — US disclosed
US-20230151004-A1 PYRIMIDOHETEROCYCLIC COMPOUNDS AND APPLICATION THEREOF D3 BIO (WUXI) CO., LTD (CN) 2023-05-18 — — US disclosed
EP-4105211-A1 PYRIMIDOHETEROCYCLIC COMPOUNDS AND APPLICATION THEREOF D3 Bio(Wuxi) Co., Ltd. (CN) 2022-12-21 — — EP 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-20230151004-A1 PYRIMIDOHETEROCYCLIC COMPOUNDS AND APPLICATION THEREOF TYMP, DHFR, DPYD KRAS 435/4885CYP4F2 121/4885CYP4A11 193/4885

“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.

Send feedback