SCHEMBL17618332

SCHEMBL17618332

O=C(Nc1nccc(N2CCNCC2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 2/20 0.43
▸ BRAF P15056 1/20 0.42
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ HRH4 Q9H3N8 3/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ PRKD1 Q15139 1/20 0.39
▸ PRKD2 Q9BZL6 1/20 0.39
▸ IDH2 P48735 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ APP P05067 1/20 0.39
▸ HTR6 P50406 1/20 0.38

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
SCHEMBL16238537 0.96 KARS1 (0.42) KARS1BRAFMAPK13MAPK12MAPK11
SCHEMBL17618331 0.92 TRPV1 (0.41) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL16775809 0.88 TRPV1 (0.40) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL17618867 0.87 MAPK9 (0.41) MAPK13MAPK12MAPK11MAPK14JAK2
SCHEMBL16238487 0.84 CA2 (0.41) TRPV1SCN9AIDH2CA2CA9
SCHEMBL19669055 0.81 KMO (0.41) KARS1TRPV1IDH2CA2CA9
SCHEMBL16775953 0.81 TRPV1 (0.44) KARS1TRPV1SCN9AIDH2CA2
SCHEMBL19670336 0.81 MAPK9 (0.41) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL19365803 0.81 MAPK13 (0.46) KARS1MAPK13MAPK12MAPK11MAPK14
SCHEMBL19699081 0.81 IDH2 (0.46) TRPV1IDH2CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (2 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1429/4885BRAF 2804/4885MAPK13 2347/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1429/4885BRAF 2804/4885MAPK13 2347/4885

“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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