SCHEMBL17618686

SCHEMBL17618686

O=C(Nc1ccccn1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CDC42BPB Q9Y5S2 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ PORCN Q9H237 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ PIM2 Q9P1W9 4/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ VCP P55072 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ TNF P01375 1/20 0.34

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
SCHEMBL17618605 0.95 GSK3B (0.38) GSK3BDYRK1ACYP3A4CYP2D6PORCN
SCHEMBL17618654 0.91 ROCK2 (0.39) GSK3BDYRK1AROCK2ROCK1CDC42BPB
SCHEMBL17618653 0.91 CYP3A4 (0.40) GSK3BDYRK1AROCK2ROCK1CDC42BPB
SCHEMBL17618633 0.90 GRM5 (0.39) GSK3BDYRK1APIM2PIM3PIM1
SCHEMBL17618714 0.90 PRMT5 (0.40) GSK3BDYRK1APIM2PIM3GRM5
SCHEMBL16776286 0.90 GSK3B (0.39) GSK3BDYRK1ACYP3A4CYP2D6PORCN
SCHEMBL16238017 0.90 TRPV1 (0.39) DYRK1APIM2PIM3PIM1ABL1
SCHEMBL16238662 0.90 TRPV1 (0.39) DYRK1APIM2PIM3PIM1ABL1
SCHEMBL17618661 0.89 PIM3 (0.44) ROCK2ROCK1CDC42BPBPIM2PIM3
SCHEMBL19365637 0.89 PIM2 (0.35) GSK3BDYRK1APIM2PIM3PIM1

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 GSK3B 2465/4885DYRK1A 2415/4885ROCK2 3853/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 1728/4885DYRK1A 2623/4885ROCK2 3343/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GSK3B 1728/4885DYRK1A 2623/4885ROCK2 3343/4885

“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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