SCHEMBL23156751

SCHEMBL23156751

CN1CCCC1COc1nc2c(c(N3CCNC(CC#N)C3)n1)CNC2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.45
▸ VHL P40337 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ MNAT1 P51948 1/20 0.41
▸ SOS1 Q07889 1/20 0.41

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
SCHEMBL23156819 1.00 KRAS (0.45) KRASVHLCDK7CCNHMNAT1
SCHEMBL21005734 0.93 KRAS (0.47) KRASVHLCDK7CCNHMNAT1
SCHEMBL23841834 0.88 KRAS (0.41) KRASVHLCDK7CCNHMNAT1
SCHEMBL24781614 0.88 KRAS (0.52) KRASVHLCDK7CCNHMNAT1
SCHEMBL23481644 0.86 KRAS (0.45) KRASVHLCDK7CCNHMNAT1
SCHEMBL25021052 0.82 KRAS (0.39) KRASSOS1
SCHEMBL21908548 0.82 KRAS (0.41) KRAS
SCHEMBL19964192 0.82 KRAS (0.53) KRASVHLCDK7CCNHMNAT1
SCHEMBL25021516 0.82 KRAS (0.39) KRASSOS1
SCHEMBL19964061 0.82 KRAS (0.53) KRASVHLCDK7CCNHMNAT1

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-20220389021-A1 INHIBITORS OF KRAS G12C BEONE MEDICINES I GMBH (CH) 2022-12-08 — — US disclosed
CN-114929706-A Inhibitors of KRAS G12C 百济神州有限公司 2022-08-19 — — CN disclosed
WO-2021058018-A1 INHIBITORS OF KRAS G12C BEIGENE, LTD. (KY) 2021-04-01 — — WO 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-20220389021-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885VHL 10/4885CDK7 395/4885

“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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