SCHEMBL21786253

SCHEMBL21786253

C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCCN(c2cccc4c(F)cccc24)C3)C[C@@H]1CC#N

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.82
▸ VHL P40337 1/20 0.63
▸ CDK7 P50613 1/20 0.63
▸ CCNH P51946 1/20 0.63
▸ MNAT1 P51948 1/20 0.63
▸ SOS1 Q07889 1/20 0.63

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
SCHEMBL23668485 1.00 KRAS (0.82) KRASVHLCDK7CCNHMNAT1
SCHEMBL30188761 0.97 KRAS (0.87) KRASVHLCDK7CCNHMNAT1
SCHEMBL19636743 0.97 KRAS (0.87) KRASVHLCDK7CCNHMNAT1
SCHEMBL21786250 0.94 KRAS (0.84) KRASSOS1
SCHEMBL21786403 0.94 KRAS (0.84) KRASSOS1
SCHEMBL23074761 0.94 KRAS (0.78) KRASVHLCDK7CCNHMNAT1
SCHEMBL23668482 0.94 KRAS (0.84) KRASSOS1
SCHEMBL23074857 0.94 KRAS (0.80) KRASVHLCDK7CCNHMNAT1
SCHEMBL21786255 0.93 KRAS (0.79) KRASVHLCDK7CCNHMNAT1
SCHEMBL23074919 0.93 KRAS (0.85) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3844151-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-08-23 — — EP disclosed
US-20210230170-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2021-07-29 — — US disclosed
WO-2021043322-A1 AZEPINO PYRIMIDINE DERIVATIVES AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-03-11 — — WO disclosed
WO-2020047192-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-03-05 — — 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-20210230170-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885VHL 4/4885CDK7 234/4885

“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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