SCHEMBL31044985

SCHEMBL31044985

Cc1cc2c(NCCCc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)nc(-c3cnc[nH]3)nc2s1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.36
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ SCN10A Q9Y5Y9 2/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ FLT3 P36888 1/20 0.32
▸ GBA1 P04062 1/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ PCSK9 Q8NBP7 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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 0.88 KCNH2 (0.41) KCNH2CNR2PRKCINPC1GALR3
SCHEMBL31044872 0.88 FLT3 (0.45) KCNH2PIM1PIM3PIM2CNR2
SCHEMBL31044648 0.87 KCNH2 (0.37) KCNH2PIM1PIM2CNR2SCN10A
SCHEMBL31044882 0.85 FLT3 (0.44) KCNH2CNR2PRKCINPC1GALR3
SCHEMBL31044828 0.85 CNR2 (0.39) KCNH2PIM1PIM3PIM2CNR2
SCHEMBL31045183 0.84 FLT3 (0.45) KCNH2CNR2PRKCINPC1GALR3
SCHEMBL31045334 0.84 KCNH2 (0.36) KCNH2PIM1PIM3PIM2CNR2
SCHEMBL31044705 0.84 CHRM5 (0.40) KCNH2CNR2NTRK1FLT3ABL1
SCHEMBL31044788 0.83 KCNH2 (0.37) KCNH2PIM1PIM3PIM2CNR2
SCHEMBL31044939 0.83 KCNH2 (0.41) KCNH2PIM1PIM2CNR2NTRK1

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 KCNH2 4421/4885PIM1 2084/4885PIM3 2340/4885

“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.

Send feedback