SCHEMBL23219796

SCHEMBL23219796

CCC(C)Nc1ccc(C(=O)N2CC(O)C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HCAR3 P49019 1/20 0.39
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ ACACB O00763 1/20 0.36
▸ VNN1 O95497 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL19766587 0.87 PLA2G1B (0.43) TDP1SMN1; SMN2L3MBTL1PLA2G1BATG4B
SCHEMBL23219795 0.82 VNN1 (0.41) TDP1SMN1; SMN2L3MBTL1PLA2G1BATG4B
SCHEMBL20940096 0.80 PDE10A (0.39) TDP1ALDH1A1SMN1; SMN2L3MBTL1PLA2G1B
SCHEMBL20940095 0.77 PDE10A (0.37) TDP1SMN1; SMN2L3MBTL1PLA2G1BATG4B
SCHEMBL13466364 0.75 PLA2G1B (0.45) TDP1ALDH1A1SMN1; SMN2L3MBTL1PLA2G1B
SCHEMBL13467096 0.73 PDE10A (0.56) TDP1SMN1; SMN2L3MBTL1NAMPTVNN1
SCHEMBL3232177 0.70 IRAK4 (0.42) TDP1SMN1; SMN2HIF1AL3MBTL1VNN1
SCHEMBL20254512 0.70 SMN1; SMN2 (0.41) TDP1SMN1; SMN2L3MBTL1VNN1PDE10A
SCHEMBL23880060 0.70 SCN9A (0.46) ALDH1A1ALOX15SMN1; SMN2L3MBTL1PLA2G1B
SCHEMBL21379463 0.68 PDE7A (0.48) SMN1; SMN2L3MBTL1PLA2G1BATG4BNAMPT

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-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors INCYTE CORPORATION (US) 2021-04-13 — — 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-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors PIK3R5, PIK3CD, PIK3CA TDP1 383/4885ALDH1A1 2818/4885TP53 1202/4885

“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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