SCHEMBL19361175

SCHEMBL19361175

COc1cc(NC(=O)N2c3nc(-c4ccnc(N5CCC(C(F)(F)F)C5)c4)ccc3N3CC[C@H]2C3)ncn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 7/20 0.38
▸ ICAM1 P05362 7/20 0.38
▸ ITGAL P20701 7/20 0.38
▸ HPGDS O60760 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ KARS1 Q15046 2/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ MAP3K12 Q12852 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ SLC34A1 Q06495 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33

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
SCHEMBL17618648 0.93 FAAH (0.37) ITGB2ICAM1ITGALHPGDSFAAH
SCHEMBL17618656 0.93 FAAH (0.37) ITGB2ICAM1ITGALHPGDSFAAH
SCHEMBL17618564 0.89 FAAH (0.39) HPGDSFAAHFGFR4MAP3K12SCN10A
SCHEMBL19670444 0.89 ITGB2 (0.36) ITGB2ICAM1ITGALHPGDSFAAH
SCHEMBL17618449 0.88 HPGDS (0.38) ITGB2ICAM1ITGALHPGDSFAAH
SCHEMBL19361172 0.87 FAAH (0.39) HPGDSFAAHFGFR4KITCSNK1D
SCHEMBL19361177 0.87 MAP3K12 (0.37) ITGB2ICAM1ITGALHPGDSFAAH
SCHEMBL19361174 0.86 KARS1 (0.38) ITGB2ICAM1ITGALKARS1MAP3K12
SCHEMBL17618522 0.86 FAAH (0.39) HPGDSFAAHFGFR4KIT
SCHEMBL19361176 0.85 KARS1 (0.40) ITGB2ICAM1ITGALKARS1MAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ITGB2 4660/4885ICAM1 2254/4885ITGAL 4758/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ITGB2 4660/4885ICAM1 2254/4885ITGAL 4758/4885

“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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