SCHEMBL24502787

SCHEMBL24502787

CNCN(C(N)=O)c1ccccc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34

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
SCHEMBL24704695 0.86 KMT2A (0.36) KMT2ALMNASMN1; SMN2GABRA1GABRB2
SCHEMBL6616831 0.73 ALOX5 (0.40) KMT2ALMNAALOX5GABRA1GABRB2
SCHEMBL11463948 0.72 ALDH1A1 (0.46) KMT2ALMNAGABRA1GABRB2
SCHEMBL5315361 0.72 CYP3A4 (0.47) LMNAGABRA1GABRB2SCN5A
SCHEMBL11482405 0.71 TSHR (0.41) KMT2ALMNASMN1; SMN2GABRA1GABRB2
SCHEMBL11463874 0.70 SLC6A2 (0.40) KMT2ALMNASMN1; SMN2GABRA1GABRB2
SCHEMBL11333754 0.70 KMT2A (0.37) KMT2ALMNAGABRA1GABRB2
SCHEMBL11869540 0.69 ALDH1A1 (0.41) KMT2ALMNASMN1; SMN2
SCHEMBL15333351 0.69 MTNR1A (0.38) KMT2ALMNASMN1; SMN2SIGMAR1HDAC6
SCHEMBL11542153 0.68 LMNA (0.38) KMT2ALMNASMN1; SMN2GABRA1GABRB2

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-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-09 — — 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-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KMT2A 2217/4885LMNA 2967/4885SMN1; SMN2 2879/4885

“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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