SCHEMBL17618570

SCHEMBL17618570

O=C(Nc1cnccn1)N1c2nc(-c3cccc(C(F)(F)F)n3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TGFBR1 P36897 5/20 0.37
▸ TGFBR2 P37173 2/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ DYRK3 O43781 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ LIMK1 P53667 1/20 0.35

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
SCHEMBL16754646 0.91 CYP2C19 (0.36) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL17618568 0.90 TRPV1 (0.43) TGFBR1TGFBR2IDH2TRPV1IDH1
SCHEMBL16754358 0.89 PIK3CA (0.47) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL17618580 0.88 MPL (0.42) TGFBR1TGFBR2IDH2TRPV1FAAH
SCHEMBL17778872 0.87 MAPT (0.35) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL16754326 0.87 MAPT (0.35) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL17618569 0.87 P2RX3 (0.37) TGFBR1TGFBR2IDH2TRPV1IDH1
SCHEMBL17618909 0.86 ALOX15 (0.44) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL19669051 0.85 MAPT (0.38) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL16754497 0.85 AKT1 (0.37) ALOX15TSHRCASP1NPSR1HSD17B10

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 ALOX15 3553/4885TSHR 2703/4885CASP1 356/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALOX15 3469/4885TSHR 3064/4885CASP1 434/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ALOX15 3469/4885TSHR 3064/4885CASP1 434/4885

“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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