SCHEMBL23234580

SCHEMBL23234580

CC(C)(C)CNC(=O)NC(=O)c1cc(Cl)c(-c2ccccc2F)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.41
MAPT P10636 2/20 0.36
ADORA2A P29274 4/20 0.36
ADORA1 P30542 4/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 1/20 0.36
PPIA P62937 2/20 0.36
KRAS P01116 4/20 0.35
CNR1 P21554 1/20 0.35
CTSA P10619 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL23234921 0.75 PPIA (0.35) MAPTPPIACTSANPC1RAB9A
SCHEMBL31745253 0.75 KRAS (0.38) NTRK1MAPTKRASNPC1RAB9A
SCHEMBL21543515 0.75 KRAS (0.38) NTRK1MAPTKRASNPC1RAB9A
SCHEMBL21543470 0.75 KRAS (0.39) MAPTPPIAKRASNPC1RAB9A
SCHEMBL31745334 0.75 KRAS (0.39) MAPTPPIAKRASNPC1RAB9A
SCHEMBL21543189 0.74 KEAP1 (0.53) MAPTNPC1RAB9A
SCHEMBL23234656 0.74 ALDH1A1 (0.46) MAPTADORA2AADORA1ADORA3ADORA2B
SCHEMBL31745387 0.74 KEAP1 (0.53) MAPTNPC1RAB9A
SCHEMBL23234599 0.74 KRAS (0.36) MAPTKRASNPC1RAB9A
SCHEMBL23234899 0.73 KRAS (0.39) KRASNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2024-09-10 US disclosed
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-09 US disclosed
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-09 US disclosed
US-11285156-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2022-03-29 US disclosed
EP-3807276-A2 KRAS G12C INHIBITORS ENCOMPASSING A PIPERAZINE RING AND USE THEREOF IN THE TREATMENT OF CANCER Amgen Inc. (US) 2021-04-21 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 (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-11285156-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS NTRK1 2982/4885MAPT 4138/4885ADORA2A 4486/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS NTRK1 2982/4885MAPT 4138/4885ADORA2A 4486/4885
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS NTRK1 4395/4885MAPT 3991/4885ADORA2A 4654/4885

“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.