SCHEMBL23325915

SCHEMBL23325915

CC(C)Nc1ncc(C(=O)N(C)C(C)C)n1C

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.32
▸ ATP1A1 P05023 3/20 0.31
▸ ATP1B1 P05026 3/20 0.31
▸ ATP1A3 P13637 3/20 0.31
▸ ATP1B2 P14415 3/20 0.31
▸ ATP1A2 P50993 3/20 0.31
▸ ATP1B3 P54709 3/20 0.31
▸ FXYD2 P54710 3/20 0.31
▸ ATP1A4 Q13733 3/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ GRM1 Q13255 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
SCHEMBL25908867 0.85 ITK (0.31) —
SCHEMBL23324960 0.83 HRH3 (0.34) HCAR3HRH3
SCHEMBL23324958 0.73 HCAR3 (0.32) HCAR3
SCHEMBL24127267 0.70 ALDH1A1 (0.40) HRH3ADORA3
SCHEMBL25884614 0.67 HCAR3 (0.33) HCAR3
SCHEMBL25884637 0.66 HCAR3 (0.65) HCAR3
SCHEMBL23323560 0.66 P4HTM (0.38) HCAR3
SCHEMBL29222864 0.65 KAT2B (0.36) HCAR3ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL25911214 0.64 CSNK2A2 (0.39) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL24896264 0.63 SYK (0.39) —

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 6 patents. 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
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-20230234929-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 — — US disclosed
US-20230234929-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 — — US disclosed
US-11566007-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-01-31 — — US disclosed
US-20210130303-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 (4 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-11566007-B2 Ras inhibitors KRAS, NRAS, HRAS HCAR3 4500/4885ATP1A1 3647/4885ATP1B1 3207/4885
US-20230234929-A1 RAS INHIBITORS KRAS, NRAS, HRAS HCAR3 4500/4885ATP1A1 3647/4885ATP1B1 3207/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR HCAR3 4223/4885ATP1A1 3258/4885ATP1B1 2774/4885
US-20210130303-A1 RAS INHIBITORS KRAS, NRAS, HRAS HCAR3 4500/4885ATP1A1 3647/4885ATP1B1 3207/4885

“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.

Send feedback