SCHEMBL29344697

SCHEMBL29344697

CCc1c2ccccc2cc2[nH]ncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 9/20 0.45
▸ TRPA1 O75762 1/20 0.44
▸ IDO1 P14902 4/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ 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
▸ CLK4 Q9HAZ1 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ MAPK1 P28482 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) METAP2TRPA1IDO1HSP90AA1CDK2
SCHEMBL30992096 0.76 HTR2A (0.60) —
SCHEMBL168894 0.76 HTR2A (0.60) —
SCHEMBL29680217 0.75 IDO1 (0.47) METAP2IDO1HSP90AA1CDK2PIM1
SCHEMBL23043099 0.75 IDO1 (0.47) METAP2IDO1HSP90AA1CDK2PIM1
SCHEMBL31460379 0.75 IDO1 (0.47) METAP2IDO1HSP90AA1CDK2PIM1
Ammonia Solution, Strong SCHEMBL28993836 0.74 HTR2A (0.58) —
SCHEMBL26302437 0.74 METAP2 (0.52) METAP2TRPA1IDO1HSP90AA1CDK2
SCHEMBL24632431 0.74 METAP2 (0.45) METAP2TRPA1IDO1HSP90AA1CDK2
SCHEMBL24131138 0.73 TRPA1 (0.50) METAP2TRPA1IDO1CDK2PIM1

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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS METAP2 3168/4885TRPA1 4540/4885IDO1 4773/4885

“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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