SCHEMBL21722294

SCHEMBL21722294

CN1CCC[C@H]1COc1nc2c(c(N3CCN(C(=O)/C=C/CF)[C@H](CC#N)C3)n1)CC[C@@H](c1cc(O)cc3ccccc13)C2

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.65
▸ SOS1 Q07889 3/20 0.59
▸ VHL P40337 1/20 0.50
▸ CDK7 P50613 1/20 0.50
▸ CCNH P51946 1/20 0.50
▸ MNAT1 P51948 1/20 0.50

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
SCHEMBL30177986 1.00 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL30177774 1.00 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL30178149 1.00 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL21722304 1.00 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL21722575 1.00 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL21722256 1.00 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL21733458 1.00 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL21722279 1.00 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL21733460 1.00 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL30177909 1.00 KRAS (0.65) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 — — CN disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 — — US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 — — US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 — — US disclosed
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 — — CN disclosed
EP-3746436-A1 FUSED RING COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-12-09 — — EP disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 — — 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 (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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS KRAS 1/4885SOS1 782/4885VHL 37/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885SOS1 782/4885VHL 37/4885

“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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