SCHEMBL17618361

SCHEMBL17618361

O=C(Nc1cnccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ IDH2 P48735 6/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36

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
SCHEMBL17618909 0.95 ALOX15 (0.44) ALOX15TSHRHSD17B10CASP1NPSR1
SCHEMBL17618669 0.92 POLB (0.40) ALOX15TSHRHSD17B10CASP1NPSR1
SCHEMBL17618904 0.91 KDM4E (0.42) ALOX15TSHRHSD17B10IDH2KDM4E
SCHEMBL17769364 0.91 KDM4E (0.42) ALOX15TSHRHSD17B10IDH2KDM4E
SCHEMBL19365675 0.91 KDM4E (0.42) ALOX15TSHRHSD17B10IDH2KDM4E
SCHEMBL16776205 0.91 TSHR (0.46) ALOX15TSHRHSD17B10CASP1NPSR1
SCHEMBL17618363 0.89 MPL (0.42) ALOX15TSHRHSD17B10IDH2KDM4E
SCHEMBL16754405 0.88 NR3C2 (0.38) ALOX15TSHRHSD17B10CASP1NPSR1
SCHEMBL17618369 0.88 IDH2 (0.39) ALOX15TSHRHSD17B10IDH2KDM4E
SCHEMBL17624590 0.88 HTR2C (0.47) ALOX15TSHRHSD17B10IDH2KDM4E

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 2703/4885HSD17B10 2218/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALOX15 3469/4885TSHR 3064/4885HSD17B10 2085/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ALOX15 3469/4885TSHR 3064/4885HSD17B10 2085/4885

“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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