SCHEMBL25022905

SCHEMBL25022905

CCc1n[nH]c2cc(C(C)C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.44
▸ EIF4A3 P38919 3/20 0.38
▸ PRMT5 O14744 2/20 0.38
▸ WDR77 Q9BQA1 2/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ AURKA O14965 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ RET P07949 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ LTK P29376 1/20 0.37
▸ KDR P35968 1/20 0.37

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
SCHEMBL17828603 0.87 HTR1D (0.41) KIF11EIF4A3PRMT5WDR77GSK3B
SCHEMBL27722296 0.83 MAPK1 (0.37) JAK2GSK3B
SCHEMBL27722297 0.83 PDE3B (0.33) PRMT5WDR77JAK2GSK3BPDE3B
SCHEMBL24991937 0.78 KIF11 (0.41) KIF11EIF4A3PRMT5WDR77METAP2
SCHEMBL130781 0.77 ITK (0.47) KIF11PDE3BPDE3AMAP2K4
SCHEMBL84573 0.77 PDPK1 (0.55) KIF11AURKAAURKBJAK2ABL1
SCHEMBL16076615 0.77 KIF11 (0.47) KIF11EIF4A3METAP2AURKAAURKB
SCHEMBL10189221 0.77 KIF11 (0.47) KIF11PRMT5WDR77GSK3BHTR1D
SCHEMBL18806213 0.77 KIF11 (0.47) KIF11EIF4A3METAP2AURKAAURKB
SCHEMBL11388 0.76 PDPK1 (0.58) PRMT5WDR77METAP2AURKBJAK2

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-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 — — 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-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 KIF11 4486/4885EIF4A3 3450/4885PRMT5 4399/4885

“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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