SCHEMBL17618802

SCHEMBL17618802

O=C(Nc1cnccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2C[C@@H](O)[C@H]1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KMO O15229 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ FYN P06241 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ DYRK3 O43781 3/20 0.35
▸ PRKD3 O94806 3/20 0.35
▸ MAP4K4 O95819 3/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ CLK2 P49760 3/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ LIMK1 P53667 3/20 0.35
▸ CDK5 Q00535 3/20 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
SCHEMBL17618840 0.91 ALOX15 (0.37) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL19361167 0.90 PHGDH (0.40) HSD17B10KMOSCN9AFYNCA2
SCHEMBL16238388 0.90 PHGDH (0.40) HSD17B10KMOSCN9AFYNCA2
SCHEMBL20632458 0.90 PHGDH (0.40) HSD17B10KMOSCN9AFYNCA2
SCHEMBL16238547 0.90 PHGDH (0.40) HSD17B10KMOSCN9AFYNCA2
SCHEMBL17618818 0.89 MPL (0.43) KMOSCN9AFYNCA2CA9
SCHEMBL17618814 0.88 HTR2C (0.46) TSHRFYNCA2CA9KDR
SCHEMBL17618826 0.88 POLB (0.41) TSHRKMOFYNSIRT2FAAH
Trifluoroacetic Acid SCHEMBL16237584 0.88 KMO (0.38) NPSR1HSD17B10KMOSCN9AFYN
SCHEMBL19669042 0.87 CA2 (0.41) KMOFYNCA2CA9KDM1A

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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