SCHEMBL22487728

SCHEMBL22487728

CC(C)(C)c1nc2ncc(=O)[nH]c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
PMP22 Q01453 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
RPS6KA3 P51812 1/20 0.31

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
SCHEMBL20830322 0.76 SMN1; SMN2 (0.46) L3MBTL1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL22487729 0.73 L3MBTL1 (0.39) L3MBTL1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL22487725 0.69 L3MBTL1 (0.43) L3MBTL1ALDH1A1ADORA1SMN1; SMN2
SCHEMBL11782069 0.69 CNR1 (0.50) L3MBTL1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL23664110 0.68 HTT (0.70) L3MBTL1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL15746231 0.68 HTT (0.47) L3MBTL1ALDH1A1HSD17B10HPGDHTT
SCHEMBL13154979 0.68 HTT (0.47) L3MBTL1ALDH1A1HSD17B10HPGDHTT
SCHEMBL11784276 0.66 CNR1 (0.42) L3MBTL1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL18701486 0.66 CXCR2 (0.51) L3MBTL1ADORA3ADORA2AADORA1CNR1
SCHEMBL19663764 0.66 HTT (0.34) L3MBTL1ALDH1A1HSD17B10HTTDGAT2

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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS L3MBTL1 4627/4885ALDH1A1 2215/4885KDM4E 3372/4885

“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.