SCHEMBL24971018

SCHEMBL24971018

Cc1cc2[nH]ncc2c(C(C)C)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 14/20 0.43
CYP1A2 P05177 8/20 0.43
AXL P30530 1/20 0.38
IDO1 P14902 1/20 0.38
TRPA1 O75762 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PTPN6 P29350 1/20 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
SCHEMBL23206123 0.80 METAP2 (0.47) METAP2CYP1A2AXLIDO1TRPA1
SCHEMBL20327308 0.78 IDO1 (0.43) METAP2CYP1A2AXLIDO1TRPA1
SCHEMBL20974448 0.78 METAP2 (0.45) METAP2CYP1A2AXLIDO1TRPA1
SCHEMBL29937247 0.78 METAP2 (0.45) METAP2CYP1A2AXLIDO1TRPA1
SCHEMBL21216223 0.76 IDO1 (0.41) METAP2CYP1A2IDO1TLR9TLR8
SCHEMBL29344861 0.75 METAP2 (0.43) METAP2CYP1A2AXLIDO1TRPA1
SCHEMBL12110234 0.75 METAP2 (0.46) METAP2AXLIDO1TRPA1TLR9
SCHEMBL23588717 0.74 METAP2 (0.40) METAP2CYP1A2IDO1TLR9TLR8
SCHEMBL24175930 0.73 AXL (0.54) METAP2CYP1A2AXLIDO1TRPA1
SCHEMBL21216222 0.73 METAP2 (0.39) METAP2CYP1A2IDO1TRPA1TLR9

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 5 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-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
US-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 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 (3 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 3168/4885CYP1A2 4576/4885AXL 2654/4885
US-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS METAP2 3905/4885CYP1A2 3378/4885AXL 1986/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS METAP2 3204/4885CYP1A2 3478/4885AXL 1347/4885

“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.