SCHEMBL22487731

SCHEMBL22487731

CC(C)(C)c1nc2nc(=O)[nH]cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE1C Q14123 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ PDE2A O00408 1/20 0.30

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
SCHEMBL22487953 0.83 — —
SCHEMBL20830163 0.76 SMN1; SMN2 (0.38) L3MBTL1ALDH1A1SMN1; SMN2ADORA3
SCHEMBL22487733 0.75 L3MBTL1 (0.42) L3MBTL1ALDH1A1SMN1; SMN2PDE1APDE1B
SCHEMBL12205496 0.67 L3MBTL1 (0.41) L3MBTL1ALDH1A1SMN1; SMN2DGAT2ADORA3
SCHEMBL22244252 0.67 DGAT2 (0.39) L3MBTL1ALDH1A1SMN1; SMN2DGAT2ADORA3
SCHEMBL19663764 0.66 HTT (0.34) L3MBTL1ALDH1A1SMN1; SMN2DGAT2ADORA3
SCHEMBL18949030 0.64 DGAT2 (0.38) L3MBTL1ALDH1A1SMN1; SMN2DGAT2ADORA3
SCHEMBL22487728 0.64 L3MBTL1 (0.38) L3MBTL1ALDH1A1SMN1; SMN2DGAT2ADORA3
SCHEMBL22487898 0.63 ALDH1A1 (0.52) ALDH1A1ADORA3ADORA2AADORA1
SCHEMBL18711469 0.63 PNP (0.57) ALDH1A1

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 2215/4885SMN1; SMN2 4018/4885

“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.

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