SCHEMBL29344213

SCHEMBL29344213

Cc1cc2[nH]ncc2c(Br)c1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.44
CYP1A2 P05177 6/20 0.39
PTPN6 P29350 1/20 0.39
IDO1 P14902 2/20 0.38
TDO2 P48775 1/20 0.38
TRPA1 O75762 3/20 0.35
AXL P30530 2/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
NOS1 P29475 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL29344290 0.88 METAP2 (0.38) METAP2CYP1A2PTPN6IDO1TDO2
SCHEMBL31527551 0.84 METAP2 (0.43) METAP2CYP1A2PTPN6IDO1TDO2
SCHEMBL30959317 0.79 IDO1 (0.38) METAP2CYP1A2PTPN6IDO1TDO2
SCHEMBL20974448 0.76 METAP2 (0.45) METAP2CYP1A2PTPN6IDO1TDO2
SCHEMBL29937247 0.76 METAP2 (0.45) METAP2CYP1A2PTPN6IDO1TDO2
SCHEMBL21196238 0.75 IDO1 (0.48) METAP2CYP1A2PTPN6IDO1TDO2
SCHEMBL19948646 0.73 IDO1 (0.47) METAP2CYP1A2PTPN6IDO1TDO2
SCHEMBL30410207 0.73 IDO1 (0.47) METAP2CYP1A2PTPN6IDO1TDO2
SCHEMBL23043392 0.72 TRPA1 (0.45) METAP2CYP1A2PTPN6IDO1TDO2
SCHEMBL30959994 0.72 TRPA1 (0.45) METAP2CYP1A2PTPN6IDO1TDO2

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
WO-2025076523-A1 RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed
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-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 3168/4885CYP1A2 4576/4885PTPN6 486/4885

“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.