SCHEMBL17618658

SCHEMBL17618658

N#Cc1ccccc1-c1ccc2c(n1)N(C(=O)Nc1cncc(F)c1)[C@H]1CCCN2C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 7/20 0.37
▸ PIM1 P11309 4/20 0.37
▸ PIM3 Q86V86 4/20 0.37
▸ FPR1 P21462 2/20 0.37
▸ FPR2 P25090 2/20 0.37
▸ LRRK2 Q5S007 2/20 0.35
▸ USP30 Q70CQ3 2/20 0.33
▸ UCHL1 P09936 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33
▸ AXL P30530 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ ELOVL1 Q9BW60 1/20 0.32

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
SCHEMBL17618660 0.88 HTR2C (0.43) PIM2PIM1PIM3HTR2AHTR2C
SCHEMBL17618585 0.85 LRRK2 (0.40) LRRK2USP30UCHL1
SCHEMBL17618516 0.85 LRRK2 (0.40) LRRK2USP30UCHL1
SCHEMBL19365378 0.85 LRRK2 (0.40) LRRK2USP30UCHL1
SCHEMBL17618740 0.85 ABL1 (0.38) —
SCHEMBL17618674 0.83 PIM2 (0.43) PIM2PIM1PIM3HTR2AHTR2C
SCHEMBL17618672 0.83 PIM2 (0.38) PIM2PIM1PIM3LRRK2USP30
SCHEMBL17618715 0.83 HTR2C (0.38) PIM2PIM1PIM3HTR2AHTR2C
SCHEMBL17618668 0.82 CHRM4 (0.36) PIM2PIM1PIM3LRRK2UCHL1
SCHEMBL19365348 0.81 PIM2 (0.34) PIM2PIM3HTR2AHTR2C

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 PIM2 3491/4885PIM1 3195/4885PIM3 3869/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM2 3242/4885PIM1 2799/4885PIM3 3489/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM2 3242/4885PIM1 2799/4885PIM3 3489/4885

“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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