SCHEMBL25669810

SCHEMBL25669810

CCc1nn(C)c2c(C)c(C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SYK P43405 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ KHK P50053 3/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ SLC22A12 Q96S37 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL13106381 0.83 GAA (0.40) GAAALDH1A1MAPK1L3MBTL1HTR2A
SCHEMBL13106386 0.83 GAA (0.40) GAAALDH1A1MAPK1L3MBTL1HTR2A
SCHEMBL19084512 0.77 ADORA2A (0.42) GAAALDH1A1MAPK1SYKGLA
SCHEMBL25667934 0.74 SYK (0.33) GAAALDH1A1MAPK1L3MBTL1SYK
SCHEMBL13106443 0.72 GAA (0.36) GAAALDH1A1MAPK1L3MBTL1MAPK8
SCHEMBL23870234 0.70 PIM1 (0.34) GAAALDH1A1MAPK1L3MBTL1GRM4
SCHEMBL13106356 0.70 ESR1 (0.43) ALDH1A1MAPK1L3MBTL1MAPK8MAPK9
SCHEMBL14077453 0.70 L3MBTL1 (0.41) GAAALDH1A1MAPK1L3MBTL1KHK
SCHEMBL13106354 0.70 ALDH1A1 (0.41) GAAALDH1A1MAPK1L3MBTL1KHK
SCHEMBL27153773 0.70 DDB1 (0.45) GAAALDH1A1MAPK1L3MBTL1HPGD

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-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 — — 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-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS GAA 3195/4885ALDH1A1 1640/4885MAPK1 146/4885

“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.

Send feedback