SCHEMBL19361174

SCHEMBL19361174

O=C(Nc1ccccn1)N1c2nc(-c3ccnc(N4CCC(C(F)(F)F)C4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 3/20 0.38
▸ ITGB2 P05107 9/20 0.38
▸ ICAM1 P05362 9/20 0.38
▸ ITGAL P20701 9/20 0.38
▸ MAP3K12 Q12852 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ CLK2 P49760 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ LPL P06858 1/20 0.34
▸ LIPC P11150 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN5A Q14524 1/20 0.34

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
SCHEMBL17618666 0.93 KARS1 (0.41) KARS1ITGB2ICAM1ITGALTRPV1
SCHEMBL19669052 0.93 KARS1 (0.41) KARS1ITGB2ICAM1ITGALTRPV1
SCHEMBL19361176 0.91 KARS1 (0.40) KARS1ITGB2ICAM1ITGALMAP3K12
SCHEMBL16238200 0.90 SCD (0.37) KARS1ITGB2ICAM1ITGALMAP3K12
SCHEMBL17618563 0.89 VCP (0.41) KARS1MAP3K12TRPV1SCN10ACLK2
SCHEMBL16754431 0.88 TRPV1 (0.42) MAP3K12TRPV1SCN10ALPLLIPC
SCHEMBL16754642 0.88 TRPV1 (0.42) MAP3K12TRPV1SCN10ALPLLIPC
SCHEMBL19669097 0.88 TRPV1 (0.42) MAP3K12TRPV1SCN10ALPLLIPC
SCHEMBL17778316 0.88 TRPV1 (0.42) MAP3K12TRPV1SCN10ALPLLIPC
SCHEMBL16754579 0.88 TRPV1 (0.42) MAP3K12TRPV1SCN10ALPLLIPC

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 KARS1 1760/4885ITGB2 4660/4885ICAM1 2254/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KARS1 1760/4885ITGB2 4660/4885ICAM1 2254/4885

“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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