SCHEMBL31044831

SCHEMBL31044831

Cc1cc2c(NCCCNc3ccccc3)nc(C(F)(F)F)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.48
▸ KMT2A Q03164 2/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ CDK2 P24941 5/20 0.40
▸ CCNE2 O96020 4/20 0.40
▸ CCNE1 P24864 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CDK4 P11802 2/20 0.39
▸ CCND1 P24385 2/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ EHMT2 Q96KQ7 1/20 0.38
▸ RCOR1 Q9UKL0 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 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
SCHEMBL31045380 0.89 TLR7 (0.46) TLR7KMT2ASIRT5MEN1CDK2
SCHEMBL20667981 0.89 TLR7 (0.46) TLR7KMT2ASIRT5MEN1CDK2
SCHEMBL20668008 0.85 TLR7 (0.46) TLR7KMT2ASIRT5CDK2CCNE2
SCHEMBL31044781 0.85 TLR7 (0.43) TLR7KMT2ASIRT5MAPK1MEN1
SCHEMBL31045335 0.85 TLR7 (0.43) TLR7KMT2ASIRT5MEN1CDK2
SCHEMBL31045049 0.84 TLR7 (0.42) TLR7KMT2ASIRT5MEN1CDK2
SCHEMBL20668010 0.84 LMNA (0.41) TLR7KMT2ASIRT5MEN1CDK2
SCHEMBL31045277 0.84 TLR7 (0.46) TLR7KMT2ASIRT5MAPK1MEN1
SCHEMBL31045087 0.84 KMT2A (0.50) TLR7KMT2ASIRT5MAPK1MEN1
SCHEMBL31045229 0.84 TLR7 (0.41) TLR7KMT2ASIRT5MEN1CDK2

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 1209/4885KMT2A 4333/4885SIRT5 1088/4885

“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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