SCHEMBL26302437

SCHEMBL26302437

CC(C)c1c2ccccc2cc2[nH]ncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 9/20 0.52
▸ TRPA1 O75762 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ TLR8 Q9NR97 4/20 0.40
▸ TLR7 Q9NYK1 4/20 0.40
▸ TLR9 Q9NR96 2/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ DYRK2 Q92630 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
SCHEMBL24536500 0.78 METAP2 (0.53) METAP2TRPA1HSP90AA1IDO1CDK2
SCHEMBL40806 0.76 ALDH1A1 (0.44) —
SCHEMBL29680217 0.75 IDO1 (0.47) METAP2HSP90AA1IDO1CDK2PIM1
SCHEMBL23043099 0.75 IDO1 (0.47) METAP2HSP90AA1IDO1CDK2PIM1
SCHEMBL31460379 0.75 IDO1 (0.47) METAP2HSP90AA1IDO1CDK2PIM1
SCHEMBL29344697 0.74 METAP2 (0.45) METAP2TRPA1HSP90AA1IDO1CDK2
SCHEMBL24632431 0.74 METAP2 (0.45) METAP2TRPA1HSP90AA1IDO1CDK2
SCHEMBL24131026 0.73 METAP2 (0.51) METAP2TRPA1IDO1
SCHEMBL20327308 0.73 IDO1 (0.43) METAP2TRPA1IDO1TLR8TLR7
SCHEMBL12110234 0.73 METAP2 (0.46) METAP2TRPA1IDO1CDK2TLR8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 — — WO 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 (2 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS METAP2 3168/4885TRPA1 4540/4885HSP90AA1 1614/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS METAP2 3204/4885TRPA1 4074/4885HSP90AA1 2062/4885

“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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