SCHEMBL17618521

SCHEMBL17618521

O=C(Nc1cnccn1)N1c2nc(-c3cccc(N4CCC(F)(F)C4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.39
▸ USP2 O75604 4/20 0.36
▸ CYP1A2 P05177 4/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAP3K12 Q12852 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ FAAH O00519 2/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ TEK Q02763 1/20 0.33
▸ DHFR P00374 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
SCHEMBL17618540 0.91 VCP (0.40) MAP3K12FAAHGSK3BACACBDLK1
SCHEMBL17618647 0.89 KARS1 (0.40) KARS1MAP3K12MAPTFAAHGSK3B
SCHEMBL17618535 0.89 VCP (0.35) MAP3K12ALOX5APACACBJAK2
SCHEMBL16238803 0.89 KARS1 (0.41) KARS1USP2CYP1A2CYP2C19MAPK1
SCHEMBL16238804 0.89 KARS1 (0.41) KARS1USP2CYP1A2CYP2C19MAPK1
SCHEMBL17618546 0.89 KARS1 (0.41) KARS1USP2CYP1A2CYP2C19MAPK1
SCHEMBL17618501 0.89 KARS1 (0.44) KARS1USP2CYP1A2CYP2C19CYP3A4
SCHEMBL17618567 0.86 KARS1 (0.41) KARS1TSHRMAP3K12FAAHDHFR
SCHEMBL19365380 0.86 KARS1 (0.39) KARS1USP2CYP1A2CYP2C19CYP3A4
SCHEMBL17618549 0.85 SCN10A (0.34) CYP2C19CYP3A4CYP2D6SMN1; SMN2FAAH

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 9 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
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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 1429/4885USP2 183/4885CYP1A2 3430/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1760/4885USP2 218/4885CYP1A2 3492/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KARS1 1760/4885USP2 218/4885CYP1A2 3492/4885

“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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