SCHEMBL14340740

SCHEMBL14340740

CCCNc1c(C)c(C)nc(N(Cc2ccccc2)Cc2ccccc2)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 5/20 0.37
▸ APP P05067 2/20 0.36
▸ TLR7 Q9NYK1 4/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CRHR1 P34998 4/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL8127869 0.90 NPC1 (0.39) TLR8APPTLR7MEN1NPC1
SCHEMBL1140629 0.78 PIK3CA (0.31) NOS1
SCHEMBL6094775 0.78 BRD4 (0.42) MEN1CYP3A4KMT2A
SCHEMBL8123589 0.74 ESR1 (0.35) TLR8TLR7MEN1MAPTKMT2A
SCHEMBL2569487 0.73 KMT2A (0.37) APPCYP2C19MEN1ALDH1A1CYP1A2
SCHEMBL4302676 0.72 MEN1 (0.48) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL8128511 0.71 ALDH1A1 (0.47) TLR8TLR7MEN1ALDH1A1CYP3A4
SCHEMBL8128112 0.69 RAB9A (0.37) CYP2C19NPC1RAB9ACRHR1PDE4A
SCHEMBL8124264 0.68 KDM4E (0.44) APPCYP2C19MEN1ALDH1A1MAPT
SCHEMBL7831685 0.67 KDM4E (0.43) APPTLR7MEN1ALDH1A1MAPT

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-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 — — 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-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method IFNG, IL4, IL2 TLR8 541/4885APP 4311/4885TLR7 137/4885

“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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