SCHEMBL21319909

SCHEMBL21319909

CN1CCCC1(C)COc1nc2c(c(N3CCN(C(=O)OC(C)(C)C)[C@@H](CC#N)C3)n1)CCNC2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.43
SOS1 Q07889 2/20 0.39
VHL P40337 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37

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
SCHEMBL19636820 1.00 KRAS (0.43) KRASSOS1VHLCDK7CCNH
SCHEMBL31344938 1.00 KRAS (0.43) KRASSOS1VHLCDK7CCNH
SCHEMBL21962829 0.92 KRAS (0.45) KRASSOS1VHLCDK7CCNH
SCHEMBL21319823 0.91 KRAS (0.45) KRASSOS1VHLCDK7CCNH
SCHEMBL31344907 0.91 KRAS (0.45) KRASSOS1VHLCDK7CCNH
SCHEMBL21315090 0.87 KRAS (0.42) KRASSOS1VHLCDK7CCNH
SCHEMBL21315087 0.87 KRAS (0.42) KRASSOS1VHLCDK7CCNH
SCHEMBL19637243 0.85 KRAS (0.39) KRASSOS1VHLCDK7CCNH
SCHEMBL19617279 0.84 KRAS (0.56) KRASSOS1VHLCDK7CCNH
SCHEMBL19616467 0.84 KRAS (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308170-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-10-01 US disclosed
WO-2020101736-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-05-22 WO disclosed
US-10647715-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-05-12 US disclosed
US-20190270743-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-09-05 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 (3 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-10647715-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885SOS1 94/4885VHL 4/4885
US-20200308170-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885SOS1 94/4885VHL 4/4885
US-20190270743-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885SOS1 94/4885VHL 4/4885

“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.