SCHEMBL25895254

SCHEMBL25895254

CC(C)C(=O)Nc1csc(C(=O)N(C)C(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL26882860 0.73 CYP1A2 (0.41) ADORA3ADORA1ADORA2ATYRNPC1
SCHEMBL11475387 0.73 ADORA3 (0.41) ADORA3ADORA1ADORA2ATYRNPC1
SCHEMBL7555425 0.66 XIAP (0.44) NPC1RAB9ASMN1; SMN2
SCHEMBL28484890 0.65 MEN1 (0.45) ADORA3ADORA1ADORA2ATYRNPC1
SCHEMBL12674314 0.64 GRM5 (0.31) —
SCHEMBL7378258 0.63 XIAP (0.42) CDK2CDK5
SCHEMBL23342776 0.63 ALDH1A1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16123250 0.63 TYR (0.49) TYRNPC1RAB9AMEN1KMT2A
SCHEMBL16708654 0.63 HCAR3 (0.36) TYRALDH1A1CDK2HPGDHSD17B10
SCHEMBL23341625 0.62 TSHR (0.36) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 — — US disclosed
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
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 (2 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-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS ADORA3 4863/4885ADORA1 4855/4885ADORA2A 4848/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR ADORA3 4603/4885ADORA1 4567/4885ADORA2A 3898/4885

“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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