SCHEMBL19669051

SCHEMBL19669051

O=C(Nc1cnccn1)N1c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.38
▸ 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
▸ XPO1 O14980 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ SLC29A1 Q99808 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ SYK P43405 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL16249951 0.94 ABL1 (0.38) MAPTALOX15TSHRCASP1NPSR1
SCHEMBL17618909 0.93 ALOX15 (0.44) MAPTALOX15TSHRCASP1NPSR1
SCHEMBL16754358 0.89 PIK3CA (0.47) MAPTALOX15TSHRCASP1NPSR1
SCHEMBL17618621 0.89 FAAH (0.39) CYP2C19PIK3CAGSK3BCDK5GSK3A
SCHEMBL17618669 0.89 POLB (0.40) MAPTALOX15TSHRCASP1NPSR1
SCHEMBL19361182 0.88 FAAH (0.38) GSK3BCDK5GSK3AFAAH
SCHEMBL16754348 0.88 CYP2C19 (0.37) MAPTALOX15TSHRCASP1NPSR1
SCHEMBL17618361 0.88 ALOX15 (0.43) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL16776205 0.88 TSHR (0.46) MAPTALOX15TSHRCASP1NPSR1
SCHEMBL16754503 0.87 FAAH (0.36) CYP2C19CYP3A4CYP2D6GSK3BDYRK1A

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 5 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

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 MAPT 267/4885ALOX15 3469/4885TSHR 3064/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAPT 267/4885ALOX15 3469/4885TSHR 3064/4885

“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.

Send feedback