SCHEMBL17618654

SCHEMBL17618654

O=C(Nc1cnccn1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ CDC42BPB Q9Y5S2 2/20 0.39
▸ PIM2 Q9P1W9 4/20 0.38
▸ GSK3B P49841 3/20 0.38
▸ DYRK1A Q13627 3/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ PORCN Q9H237 1/20 0.36
▸ ABL1 P00519 2/20 0.35
▸ FAAH O00519 2/20 0.34
▸ PIM1 P11309 2/20 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
SCHEMBL17618624 0.95 GSK3B (0.39) ROCK2ROCK1CDC42BPBGSK3BDYRK1A
SCHEMBL17618686 0.91 GSK3B (0.37) ROCK2ROCK1CDC42BPBPIM2GSK3B
SCHEMBL17618642 0.90 DGAT2 (0.36) ROCK2ROCK1CDC42BPBPIM2GSK3B
SCHEMBL19670495 0.90 ROCK2 (0.39) ROCK2ROCK1CDC42BPBPIM2GSK3B
SCHEMBL17618716 0.90 KMT2A (0.37) PIM2GSK3BDYRK1AKMT2ADGAT2
SCHEMBL17618653 0.90 CYP3A4 (0.40) ROCK2ROCK1CDC42BPBPIM2GSK3B
SCHEMBL16776276 0.90 GSK3B (0.40) ROCK2ROCK1CDC42BPBGSK3BDYRK1A
SCHEMBL17618669 0.90 POLB (0.40) PIM2DYRK1APIM3CYP3A4CYP2D6
SCHEMBL17618671 0.89 PIM3 (0.45) ROCK2ROCK1CDC42BPBPIM2GSK3B
SCHEMBL17618621 0.88 FAAH (0.39) GSK3BKMT2AFAAH

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 ROCK2 3853/4885ROCK1 3583/4885CDC42BPB 3222/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ROCK2 3343/4885ROCK1 2949/4885CDC42BPB 3243/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ROCK2 3343/4885ROCK1 2949/4885CDC42BPB 3243/4885

“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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