SCHEMBL25919866

SCHEMBL25919866

CCN(C)C(=O)c1ncc(NC(=O)C(C)C)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ KCNB1 Q14721 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ FGFR4 P22455 1/20 0.30
▸ NAMPT P43490 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL23341625 0.84 TSHR (0.36) ALDH1A1RECQLTSHRCCNE1CDK2
SCHEMBL23324958 0.67 HCAR3 (0.32) —
SCHEMBL24127270 0.66 HPGD (0.35) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL23323948 0.65 KRAS (0.33) FGFR1
SCHEMBL25789181 0.59 L3MBTL1 (0.50) ALDH1A1RECQLSMN1; SMN2L3MBTL1MEN1
SCHEMBL13282103 0.58 TSHR (0.45) ALDH1A1RECQLTSHRCCNE1CDK2
SCHEMBL12035264 0.58 KMT2A (0.53) RECQLTSHRL3MBTL1KMT2ANPC1
SCHEMBL19699469 0.58 TSHR (0.53) ALDH1A1RECQLTSHRCCNE1CDK2
SCHEMBL24801406 0.58 CCNE1 (0.42) ALDH1A1RECQLTSHRCCNE1CDK2
SCHEMBL23325914 0.58 P4HTM (0.36) ALDH1A1L3MBTL1MEN1KMT2ANAMPT

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-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 — — 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-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR ALDH1A1 4528/4885RECQL 646/4885TSHR 4120/4885

“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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