SCHEMBL17618661

SCHEMBL17618661

O=C(Nc1ccccn1)N1c2nc(-c3cccnc3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 3/20 0.44
▸ PIM2 Q9P1W9 3/20 0.44
▸ ATR Q13535 1/20 0.41
▸ BTK Q06187 2/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PIM1 P11309 5/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CDC42BPB Q9Y5S2 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ ACHE P22303 1/20 0.37

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
SCHEMBL17618671 0.92 PIM3 (0.45) PIM3PIM2BTKPIK3CAMTOR
SCHEMBL17618675 0.90 PIM3 (0.46) PIM3PIM2ATRBTKPIK3CA
SCHEMBL17618682 0.90 GSK3B (0.39) PIM3PIM2BTKPIK3CAMTOR
SCHEMBL16238179 0.90 PIM3 (0.44) PIM3PIM2BTKPIK3CAMTOR
SCHEMBL17618686 0.89 GSK3B (0.37) PIM3PIM2BTKPIM1GRM5
SCHEMBL17618714 0.89 PRMT5 (0.40) PIM3PIM2BTKPIK3CAGRM5
SCHEMBL17618633 0.89 GRM5 (0.39) PIM3PIM2BTKPIM1GRM5
SCHEMBL19365637 0.88 PIM2 (0.35) PIM3PIM2BTKPIM1GRM5
SCHEMBL17618673 0.87 PIM3 (0.47) PIM3PIM2BTKPIK3CAMTOR
SCHEMBL19699057 0.87 BTK (0.39) BTKPIK3CAGRM5FAAHEGFR

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 PIM3 3869/4885PIM2 3491/4885ATR 1768/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM3 3489/4885PIM2 3242/4885ATR 1867/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM3 3489/4885PIM2 3242/4885ATR 1867/4885

“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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