SCHEMBL26516738

SCHEMBL26516738

CC(C)N1C2CCC1CN(c1ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5F)n(C)c4c3)cc1)C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.37
▸ GPR119 Q8TDV5 7/20 0.35
▸ GABRA2 P47869 4/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ PTGS1 P23219 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FRS2 Q8WU20 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL30360618 1.00 PRKDC (0.37) PRKDCGPR119GABRA2FGFR1MAP4K1
SCHEMBL26516667 0.89 MAP4K1 (0.39) PRKDCGPR119MAP4K1PTGS2
SCHEMBL26516732 0.87 MAP4K1 (0.41) PRKDCMAP4K1ACVR1PTGS1PTGS2
SCHEMBL30360607 0.87 MAP4K1 (0.41) PRKDCMAP4K1ACVR1PTGS1PTGS2
SCHEMBL26516742 0.86 MAP4K1 (0.40) PRKDCGPR119GABRA2MAP4K1ACVR1
SCHEMBL30360625 0.84 HRH3 (0.41) PRKDCGPR119GABRA2FGFR1MAP4K1
SCHEMBL26516735 0.84 HRH3 (0.41) PRKDCGPR119GABRA2FGFR1MAP4K1
SCHEMBL26516688 0.80 MAP4K1 (0.39) GPR119MAP4K1ACVR1PTGS1PTGS2
SCHEMBL26516685 0.80 MAP4K1 (0.39) GPR119MAP4K1ACVR1PTGS1PTGS2
SCHEMBL30360601 0.75 MAP4K1 (0.47) GPR119MAP4K1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — US disclosed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — 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-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 PRKDC 1977/4885GPR119 163/4885GABRA2 3872/4885

“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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