SCHEMBL17618675

SCHEMBL17618675

O=C(Nc1ccncn1)N1c2nc(-c3cccnc3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 4/20 0.46
▸ PIM2 Q9P1W9 4/20 0.46
▸ ATR Q13535 1/20 0.42
▸ FAAH O00519 1/20 0.39
▸ PIM1 P11309 5/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ ROCK2 O75116 3/20 0.37
▸ ROCK1 Q13464 3/20 0.37
▸ CDC42BPB Q9Y5S2 3/20 0.37
▸ BTK Q06187 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ CDC42BPA Q5VT25 2/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL17618661 0.90 PIM3 (0.44) PIM3PIM2ATRFAAHPIM1
SCHEMBL17618692 0.90 PIM2 (0.36) PIM3PIM2FAAHPIM1ROCK2
SCHEMBL17618671 0.90 PIM3 (0.45) PIM3PIM2FAAHPIM1LRRK2
SCHEMBL17618730 0.88 LRRK2 (0.36) PIM3PIM2FAAHPIM1LRRK2
SCHEMBL19365551 0.87 PIM2 (0.34) PIM3PIM2FAAHPIM1ROCK2
SCHEMBL16238179 0.87 PIM3 (0.44) PIM3PIM2FAAHPIM1ROCK2
SCHEMBL17618673 0.87 PIM3 (0.47) PIM3PIM2FAAHBTKALDH1A1
SCHEMBL17618721 0.86 PIM1 (0.40) PIM3PIM2PIM1ROCK2ROCK1
SCHEMBL17618587 0.86 USP30 (0.42) LRRK2
SCHEMBL17618363 0.86 MPL (0.42) KDM4E

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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