SCHEMBL17618771

SCHEMBL17618771

O=C(Nc1cccnc1)N1c2nc(-c3cnn(C4CCCC4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.41
▸ CLK2 P49760 2/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ HTR2C P28335 4/20 0.37
▸ HTR2A P28223 3/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1I Q9P0X4 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL17618626 0.89 MCL1 (0.46) MCL1CLK2LRRK2HTR2CHTR2A
SCHEMBL17618704 0.86 HTR2A (0.39) MCL1HTR2CHTR2API4KBALDH1A1
SCHEMBL17618754 0.86 HTR2C (0.39) MCL1HTR2CHTR2API4KBMAPT
SCHEMBL17618673 0.86 PIM3 (0.47) HTR2CHTR2API4KBALDH1A1MAPT
SCHEMBL16238607 0.85 NAMPT (0.47) MCL1HTR2CHTR2A
SCHEMBL17618719 0.83 ALDH1A1 (0.42) HTR2CHTR2API4KBALDH1A1MAPT
SCHEMBL16754504 0.83 DYRK1A (0.37) CLK2LRRK2IRAK4SCN9A
SCHEMBL16754587 0.82 HTR2C (0.38) HTR2CHTR2API4KBALDH1A1MAPT
SCHEMBL17618492 0.82 ABL1 (0.42) MCL1HTR2CHTR2AALDH1A1MAPT
SCHEMBL17618729 0.82 HTR2A (0.44) HTR2CHTR2A

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 MCL1 219/4885CLK2 575/4885LRRK2 657/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MCL1 316/4885CLK2 712/4885LRRK2 533/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MCL1 316/4885CLK2 712/4885LRRK2 533/4885

“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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