SCHEMBL25829666

SCHEMBL25829666

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1c1c([N+](=O)[O-])c(=O)n(-c2c(C)ccnc2C(C)C)c2nc(Cl)c(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.43

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
SCHEMBL29572849 1.00 KRAS (0.43) KRAS
SCHEMBL25829792 0.94 KRAS (0.46) KRAS
SCHEMBL30411909 0.94 KRAS (0.43) KRAS
SCHEMBL28909114 0.94 KRAS (0.43) KRAS
SCHEMBL25829503 0.90 KRAS (0.43) KRAS
SCHEMBL29572338 0.90 KRAS (0.46) KRAS
SCHEMBL26321733 0.90 KRAS (0.46) KRAS
SCHEMBL25829918 0.89 KRAS (0.40) KRAS
SCHEMBL29963239 0.88 KRAS (0.50) KRAS
SCHEMBL29828145 0.88 KRAS (0.50) KRAS

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-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
CN-115124533-A Tetracyclic derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2022-09-30 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 (2 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-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 KRAS 1/4885
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE KRAS, NRAS, RHOA KRAS 1/4885

“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.