SCHEMBL25905786

SCHEMBL25905786

CCN(C)C(=O)c1ccc(NC(C)C)nc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 11/20 0.61
▸ HCAR2 Q8TDS4 2/20 0.50
▸ GRM5 P41594 1/20 0.46
▸ NAMPT P43490 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ SSTR5 P35346 1/20 0.39
▸ NNMT P40261 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL25884637 0.82 HCAR3 (0.65) HCAR3HCAR2GRM5NNMT
SCHEMBL16799770 0.75 HCAR3 (0.73) HCAR3HCAR2NNMT
SCHEMBL20812007 0.75 HDAC1 (0.50) HCAR3GRM5NAMPTKDM4EALDH1A1
SCHEMBL3247777 0.74 NAPRT (0.53) GRM5ALDH1A1POLB
SCHEMBL12844433 0.74 HCAR3 (0.42) HCAR3GRM5NAMPTHRH3
SCHEMBL28630671 0.73 P4HTM (0.58) HCAR3KDM4EALDH1A1
SCHEMBL29024751 0.73 HCAR3 (0.41) HCAR3GRM5NAMPTHRH3
Isopropylamine SCHEMBL16799393 0.73 HCAR3 (0.90) HCAR3HCAR2
Isopropylamine SCHEMBL16799391 0.73 HCAR3 (0.90) HCAR3HCAR2
SCHEMBL23991487 0.72 ALDH1A1 (0.42) GRM5NAMPTKDM4EALDH1A1POLB

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 HCAR3 4223/4885HCAR2 4169/4885GRM5 2912/4885

“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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