SCHEMBL23234656

SCHEMBL23234656

O=C(Cl)c1cc(Cl)c(-c2ccccc2F)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
DHODH Q02127 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EIF4E P06730 1/20 0.37
MBNL1 Q9NR56 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ACMSD Q8TDX5 1/20 0.36
ADORA2A P29274 4/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2B P29275 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL31745387 0.88 KEAP1 (0.53) ALDH1A1KEAP1NFE2L2DHODHTP53
SCHEMBL21543189 0.88 KEAP1 (0.53) ALDH1A1KEAP1NFE2L2DHODHTP53
SCHEMBL21543168 0.87 NPC1 (0.46) DHODHMAPTNPC1RAB9AROCK2
SCHEMBL29469242 0.87 NPC1 (0.46) DHODHMAPTNPC1RAB9AROCK2
SCHEMBL21542579 0.78 NPC1 (0.45) ALDH1A1KEAP1NFE2L2DHODHTP53
SCHEMBL26708512 0.78 KEAP1 (0.58) ALDH1A1KEAP1NFE2L2DHODHEIF4E
SCHEMBL23234921 0.77 PPIA (0.35) ALDH1A1TP53MAPTSMN1; SMN2NPC1
SCHEMBL21543187 0.76 GRM2 (0.46) DHODHSMN1; SMN2MBNL1NPC1RAB9A
SCHEMBL23234580 0.74 NTRK1 (0.41) MAPTNPC1RAB9AADORA2AADORA3
SCHEMBL31745211 0.73 KHK (0.49) ALDH1A1MBNL1ADORA2AADORA1ADORA2B

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 ALDH1A1 3126/4885ALOX15 3098/4885KEAP1 134/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS ALDH1A1 3126/4885ALOX15 3098/4885KEAP1 134/4885
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4307/4885ALOX15 2973/4885KEAP1 392/4885

“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.