SCHEMBL31044705

SCHEMBL31044705

Cc1cc2c(NCCCc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)nc(-c3cnn(C)c3)nc2s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.40
▸ ABL1 P00519 3/20 0.38
▸ BCR P11274 1/20 0.38
▸ KCNH2 Q12809 2/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ NTRK2 Q16620 2/20 0.35
▸ IRAK4 Q9NWZ3 4/20 0.35
▸ IRAK1 P51617 3/20 0.35
▸ CNR2 P34972 2/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ ACP1 P24666 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
SCHEMBL31044854 0.90 KCNH2 (0.41) KCNH2FLT3CYP3A4BRD4CNR2
SCHEMBL31044816 0.88 KCNH2 (0.36) KCNH2FLT3CYP3A4BRD4CNR2
SCHEMBL31044882 0.87 FLT3 (0.44) KCNH2FLT3CYP3A4CNR2ACP1
SCHEMBL31045183 0.86 FLT3 (0.45) KCNH2FLT3CYP3A4CNR2ACP1
SCHEMBL31045128 0.86 KCNH2 (0.36) KCNH2FLT3CYP3A4BRD4CNR2
SCHEMBL31045158 0.85 BRD4 (0.37) ABL1BCRKCNH2FLT3CYP3A4
SCHEMBL31045334 0.85 KCNH2 (0.36) ABL1KCNH2FLT3CYP3A4BRD4
SCHEMBL31045081 0.85 GBA1 (0.45) IRAK4IRAK1
SCHEMBL31044788 0.85 KCNH2 (0.37) ABL1KCNH2FLT3CYP3A4BRD4
SCHEMBL31044828 0.85 CNR2 (0.39) ABL1BCRKCNH2FLT3CYP3A4

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 CHRM5 1363/4885ABL1 772/4885BCR 2539/4885

“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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