SCHEMBL23341625

SCHEMBL23341625

CC(C)C(=O)Nc1cnc(C(=O)N(C)C(C)C)n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ CCNE2 O96020 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL25919866 0.84 ALDH1A1 (0.35) TSHRCCNE1CDK2CDK5SMN1; SMN2
SCHEMBL23324958 0.83 HCAR3 (0.32) —
SCHEMBL23323948 0.71 KRAS (0.33) —
SCHEMBL24127270 0.68 HPGD (0.35) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL23342776 0.68 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1NPC1TP53RAB9A
SCHEMBL20085575 0.65 KMT2A (0.39) SMN1; SMN2ALDH1A1RAB9ARECQLCA12
SCHEMBL25908867 0.63 ITK (0.31) —
SCHEMBL23325915 0.63 HCAR3 (0.32) —
SCHEMBL25895254 0.62 ADORA3 (0.35) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL23324960 0.61 HRH3 (0.34) ALDH1A1KMT2A

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 5 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-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
US-20210130326-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-05-06 — — 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 (3 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 TSHR 3396/4885CCNE1 220/4885CDK2 103/4885
US-20210130326-A1 RAS INHIBITORS KRAS, NRAS, HRAS TSHR 3332/4885CCNE1 402/4885CDK2 99/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR TSHR 4120/4885CCNE1 401/4885CDK2 104/4885

“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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