SCHEMBL17618691

SCHEMBL17618691

Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@H]2CCCN3C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SCD O00767 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ RAB9A P51151 1/20 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
SCHEMBL17618511 0.96 SCD (0.39) ABL1SCDGSK3BDYRK1AMAPT
SCHEMBL16754551 0.91 ROCK2 (0.38) KDM4EHSD17B10GAAALDH1A1TSHR
SCHEMBL17618718 0.89 PRMT5 (0.36) DYRK1AMAPTMAPK1PIM2
SCHEMBL17618674 0.89 PIM2 (0.43) ABL1KDM4EALDH1A1TSHRMAPT
SCHEMBL17618719 0.88 ALDH1A1 (0.42) ALDH1A1MAPTPIK3CAMTORPIM2
SCHEMBL17618520 0.87 USP30 (0.37) ABL1GSK3BDYRK1AMAPK1
SCHEMBL17618608 0.85 SCN10A (0.38) DYRK1APIK3CAPIM2
SCHEMBL19365348 0.85 PIM2 (0.34) ABL1DYRK1APIM2
SCHEMBL17618715 0.85 HTR2C (0.38) ABL1PIM2
SCHEMBL17618636 0.85 SCN10A (0.39) ABL1DYRK1A

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 ABL1 3987/4885KDM4E 1109/4885HSD17B10 2218/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885KDM4E 950/4885HSD17B10 2085/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ABL1 4089/4885KDM4E 950/4885HSD17B10 2085/4885

“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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