SCHEMBL31045010

SCHEMBL31045010

Cc1cc2c(NCCCn3ccc4ccccc43)nc(C(F)(F)F)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.43
▸ TLR8 Q9NR97 1/20 0.43
▸ CDK4 P11802 4/20 0.40
▸ CCND1 P24385 4/20 0.40
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPK1 P28482 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL31045119 0.84 TLR8 (0.47) TLR7TLR8CDK4CCND1MAPT
SCHEMBL31044856 0.83 LMNA (0.42) TLR7CDK4CCND1MAPTLMNA
SCHEMBL31044831 0.80 TLR7 (0.48) TLR7CDK4CCND1MAPTLMNA
SCHEMBL20667981 0.79 TLR7 (0.46) TLR7KMT2AMEN1SIRT5CYP1A2
SCHEMBL31045380 0.79 TLR7 (0.46) TLR7KMT2AMEN1SIRT5CYP1A2
SCHEMBL31044677 0.78 TLR7 (0.40) TLR7CDK4CCND1MAPTLMNA
SCHEMBL20668008 0.78 TLR7 (0.46) TLR7TLR8CDK4CCND1MAPT
SCHEMBL31044775 0.77 TLR7 (0.41) TLR7MAPTLMNAKMT2AMEN1
SCHEMBL31044796 0.77 TLR7 (0.43) TLR7CDK4CCND1MAPTLMNA
SCHEMBL31044781 0.77 TLR7 (0.43) TLR7CDK4CCND1MAPTMAPK1

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 TLR7 1209/4885TLR8 528/4885CDK4 2449/4885

“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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