SCHEMBL30188969

SCHEMBL30188969

CN1CCC[C@H]1CSc1nc2c(c(N3CCN(C(=O)OCc4ccccc4)[C@@H](CC#N)C3)n1)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.46
VHL P40337 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
SOS1 Q07889 1/20 0.42

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
SCHEMBL21005745 1.00 KRAS (0.46) KRASVHLCDK7CCNHMNAT1
SCHEMBL20975060 0.88 KRAS (0.47) KRASVHLCDK7CCNHMNAT1
SCHEMBL20975061 0.88 KRAS (0.47) KRASVHLCDK7CCNHMNAT1
SCHEMBL19948383 0.88 IDH1 (0.41) KRASVHLCDK7CCNHMNAT1
SCHEMBL28500547 0.88 IDH1 (0.41) KRASVHLCDK7CCNHMNAT1
SCHEMBL29888410 0.88 IDH1 (0.41) KRASVHLCDK7CCNHMNAT1
SCHEMBL20974639 0.88 KRAS (0.44) KRASVHLCDK7CCNHMNAT1
SCHEMBL20974636 0.88 KRAS (0.44) KRASVHLCDK7CCNHMNAT1
SCHEMBL19617072 0.88 KRAS (0.59) KRASVHLCDK7CCNHMNAT1
SCHEMBL19637311 0.88 KRAS (0.59) 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-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP 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-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885VHL 4/4885CDK7 219/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885VHL 4/4885CDK7 219/4885

“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.