SCHEMBL17618557

SCHEMBL17618557

O=C(Nc1cncc(F)c1)N1c2nc(-c3cccc(N4CC[C@@H](F)C4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ DYRK1A Q13627 2/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ ABL1 P00519 3/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ IGF1R P08069 1/20 0.31

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
SCHEMBL17618559 1.00 CNR1 (0.33) CNR1CLK2PDE10ADYRK1AWNT1
SCHEMBL17618495 0.93 TRPV3 (0.37) CNR1PRKCAPRKCQCHRNB4CHRNA3
SCHEMBL17618571 0.93 PIM2 (0.33) CLK2ABL1MEN1NPC1HSP90AA1
SCHEMBL17618549 0.89 SCN10A (0.34) CHRNB4CHRNA3ABL1KDM4EALDH1A1
SCHEMBL19670176 0.88 CNR1 (0.36) CNR1CHRNB4CHRNA3MEN1RAB9A
SCHEMBL17618507 0.88 CNR1 (0.36) CNR1CHRNB4CHRNA3MEN1RAB9A
SCHEMBL19699058 0.88 USP2 (0.35) DYRK1AMEN1KMT2AGSK3BHTR2C
SCHEMBL17618432 0.88 CNR1 (0.36) CNR1CHRNB4CHRNA3MEN1RAB9A
SCHEMBL17618689 0.87 KARS1 (0.35) CLK2DYRK1AABL1KMT2AGSK3B
SCHEMBL17618681 0.87 KARS1 (0.35) CLK2DYRK1AABL1KMT2AGSK3B

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 CNR1 3355/4885CLK2 575/4885PDE10A 2840/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR1 2946/4885CLK2 712/4885PDE10A 2635/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR1 2946/4885CLK2 712/4885PDE10A 2635/4885

“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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