SCHEMBL17618580

SCHEMBL17618580

O=C(Nc1ccncn1)N1c2nc(-c3cccc(C(F)(F)F)n3)ccc2N2CC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.42
▸ TGFBR1 P36897 8/20 0.40
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ TGFBR2 P37173 2/20 0.35
▸ TRPV1 Q8NER1 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ IDH2 P48735 3/20 0.34
▸ IDH1 O75874 2/20 0.34
▸ AR P10275 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ WDR5 P61964 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
SCHEMBL17618568 0.90 TRPV1 (0.43) TGFBR1TGFBR2TRPV1IDH2IDH1
SCHEMBL17618570 0.88 ALOX15 (0.38) TGFBR1TGFBR2TRPV1FAAHIDH2
SCHEMBL17618569 0.87 P2RX3 (0.37) TGFBR1TGFBR2TRPV1IDH2IDH1
SCHEMBL17618498 0.86 MPL (0.43) MPLFAAHIDH2RPS6KB1
SCHEMBL17618350 0.86 MPL (0.43) MPLFAAHIDH2RPS6KB1
SCHEMBL17618582 0.85 FAAH (0.38) TGFBR1TGFBR2FAAH
SCHEMBL19699042 0.83 FAAH (0.38) TRPV1FAAHRPS6KB1
SCHEMBL17618552 0.83 ABL1 (0.38) MPLCCNCCDK8FAAHAR
SCHEMBL17618471 0.83 MPL (0.45) MPLFAAHHCRTR1HCRTR2
SCHEMBL16754649 0.82 NR3C2 (0.38) CCNCCDK8FAAHIDH2AR

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 MPL 3356/4885TGFBR1 4347/4885CCNC 2264/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MPL 3547/4885TGFBR1 3873/4885CCNC 1684/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MPL 3547/4885TGFBR1 3873/4885CCNC 1684/4885

“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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