SCHEMBL30545289

SCHEMBL30545289

C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc([13CH3])c24)C3)C[C@@H]1CC#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 1.00
▸ SOS1 Q07889 3/20 0.73
▸ VHL P40337 1/20 0.73
▸ CDK7 P50613 1/20 0.73
▸ CCNH P51946 1/20 0.73
▸ MNAT1 P51948 1/20 0.73

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
SCHEMBL26011120 1.00 KRAS (1.00) KRASSOS1VHLCDK7CCNH
SCHEMBL25905190 1.00 KRAS (1.00) KRASSOS1VHLCDK7CCNH
SCHEMBL26011095 1.00 KRAS (1.00) KRASSOS1VHLCDK7CCNH
SCHEMBL30545254 1.00 KRAS (1.00) KRASSOS1VHLCDK7CCNH
SCHEMBL19948226 1.00 KRAS (1.00) KRASSOS1VHLCDK7CCNH
SCHEMBL31716398 1.00 KRAS (1.00) KRASSOS1VHLCDK7CCNH
SCHEMBL19948108 1.00 KRAS (1.00) KRASSOS1VHLCDK7CCNH
SCHEMBL19948124 1.00 KRAS (1.00) KRASSOS1VHLCDK7CCNH
SCHEMBL29402492 1.00 KRAS (1.00) KRASSOS1VHLCDK7CCNH
SCHEMBL26011086 1.00 KRAS (1.00) KRASSOS1VHLCDK7CCNH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257374-A1 NOVEL KRAS G12C PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF INNOVENT BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-08-17 — — 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-20230257374-A1 NOVEL KRAS G12C PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF KRAS, NRAS, RASGRP1 KRAS 1/4885SOS1 294/4885VHL 46/4885

“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.

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