SCHEMBL22487729

SCHEMBL22487729

CC(C)(C)c1nc2[nH]c(=O)cnc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
PMP22 Q01453 1/20 0.39
MAPT P10636 2/20 0.33
KDM4A O75164 1/20 0.33
POLB P06746 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPKAPK2 P49137 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
PDE2A O00408 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
SCHEMBL22487917 0.75 GPR84 (0.33) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL20830320 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL22487728 0.73 L3MBTL1 (0.38) L3MBTL1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL22487918 0.70 KDM4E (0.39) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL22487732 0.70 L3MBTL1 (0.40) L3MBTL1ALDH1A1PDE2ASMN1; SMN2
SCHEMBL19286119 0.68 RPS6KA3 (0.38) ALDH1A1KDM4EMEN1KMT2ARPS6KA3
SCHEMBL21652727 0.67 ADORA3 (0.33) L3MBTL1
SCHEMBL10609477 0.66 ACHE (0.41) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL12724849 0.66 ABL1 (0.39) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL22487750 0.64 HPGD (0.42) L3MBTL1ALDH1A1KDM4EHSD17B10LMNA

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.