SCHEMBL2615622

SCHEMBL2615622

[C-]#[N+]c1ccc2c(c1)C(C)(C)CC(c1ccccc1NS(=O)(=O)c1cccnc1)N2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 6/20 0.39
▸ GLO1 Q04760 1/20 0.39
▸ CKS1B P61024 3/20 0.35
▸ SKP2 Q13309 3/20 0.35
▸ BRD4 O60885 3/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ BRAF P15056 3/20 0.33
▸ MAP2K7 O14733 2/20 0.33
▸ MAP2K4 P45985 2/20 0.33
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL2615620 0.91 MCOLN2 (0.34) SLC40A1GLO1BRD4KMT2A
SCHEMBL2138380 0.88 SLC40A1 (0.40) SLC40A1GLO1CKS1BSKP2BRD4
SCHEMBL2133536 0.85 KMT2A (0.46) SLC40A1GLO1CKS1BSKP2KMT2A
SCHEMBL2136575 0.85 SLC40A1 (0.39) SLC40A1GLO1CKS1BSKP2BRAF
SCHEMBL2138836 0.85 TBXA2R (0.41) SLC40A1GLO1CKS1BSKP2JAK2
SCHEMBL2615604 0.84 TRPV1 (0.32) JAK2
SCHEMBL2615613 0.84 SLC40A1 (0.39) SLC40A1GLO1CKS1BSKP2KEAP1
SCHEMBL16239546 0.83 USP2 (0.40) SLC40A1GLO1CKS1BSKP2KEAP1
SCHEMBL2615621 0.82 — —
SCHEMBL2140482 0.81 HIF1A (0.41) SLC40A1GLO1JAK2JAK1TYK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 — — US disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 — — 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-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 SLC40A1 3031/4885GLO1 1252/4885CKS1B 684/4885

“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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