SCHEMBL31045422

SCHEMBL31045422

Cc1cc2c(NCCCc3ccncc3)nc(C(F)(F)F)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 3/20 0.39
▸ TLR7 Q9NYK1 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MCHR1 Q99705 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ SIRT5 Q9NXA8 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
SCHEMBL31044755 0.91 MCHR1 (0.45) TLR7LMNAMAPTMCHR1HTT
SCHEMBL31045380 0.90 TLR7 (0.46) TLR7KMT2AMEN1SIRT5
SCHEMBL20667981 0.90 TLR7 (0.46) TLR7KMT2AMEN1SIRT5
SCHEMBL31045237 0.90 TLR7 (0.39) TLR7LMNAMAPTMCHR1HTT
SCHEMBL31044682 0.89 TLR7 (0.38) TLR7LMNAMAPTMCHR1HTT
SCHEMBL31045250 0.89 TLR7 (0.43) TLR7LMNAMAPTMCHR1HTT
SCHEMBL31044722 0.88 MCHR1 (0.40) TLR7LMNAMAPTMCHR1HTT
SCHEMBL31045287 0.88 TLR7 (0.37) TLR7LMNAMAPTMCHR1HTT
SCHEMBL31045224 0.88 FGFR1 (0.39) TLR7LMNAMAPTMCHR1HTT
SCHEMBL31044945 0.88 NPC1 (0.37) TLR7LMNAMAPTMCHR1HTT

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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS FIMBRION THERAPEUTICS, INC. (US) 2024-08-22 — — 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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS G6PD, SDHA, NQO1 PRKCI 2392/4885TLR7 1209/4885LMNA 1238/4885

“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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