SCHEMBL31155045

SCHEMBL31155045

C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)[S+]6[O-])nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.85
MAPK3 P27361 1/20 0.85
MAPK1 P28482 1/20 0.85
RAF1 P04049 1/20 0.75

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
SCHEMBL31155026 0.93 KRAS (0.73) KRASMAPK3MAPK1RAF1
SCHEMBL25079020 0.93 KRAS (0.88) KRASMAPK3MAPK1RAF1
SCHEMBL31154856 0.93 KRAS (0.83) KRASMAPK3MAPK1
SCHEMBL25404089 0.92 KRAS (0.87) KRASMAPK3MAPK1RAF1
SCHEMBL27243454 0.92 KRAS (0.87) KRASMAPK3MAPK1RAF1
Mrtx-1133 SCHEMBL25381671 0.92 KRAS (1.00) KRASMAPK3MAPK1RAF1
Mrtx-1133 SCHEMBL23053403 0.92 KRAS (1.00) KRASMAPK3MAPK1RAF1
SCHEMBL29049539 0.92 KRAS (0.80) KRASMAPK3MAPK1RAF1
Mrtx-1133 SCHEMBL30437753 0.92 KRAS (1.00) KRASMAPK3MAPK1RAF1
Mrtx-1133 SCHEMBL30311229 0.92 KRAS (1.00) KRASMAPK3MAPK1RAF1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300980-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT SHANGHAI KECHOW PHARMA, INC. (CN) 2024-09-12 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 (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-20240300980-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT KRAS, NRAS, HRAS KRAS 1/4885MAPK3 188/4885MAPK1 53/4885

“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.