SCHEMBL17618482

SCHEMBL17618482

N#Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@H]2CCN3C2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.39
▸ SSTR5 P35346 1/20 0.37
▸ LRRK2 Q5S007 5/20 0.36
▸ THRB P10828 1/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSD11B1 P28845 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
SCHEMBL17618585 0.95 LRRK2 (0.40) HDAC2LRRK2MCHR1USP30CNR1
SCHEMBL19365378 0.95 LRRK2 (0.40) HDAC2LRRK2MCHR1USP30CNR1
SCHEMBL17618516 0.95 LRRK2 (0.40) HDAC2LRRK2MCHR1USP30CNR1
SCHEMBL19706070 0.92 LRRK2 (0.38) HDAC2LRRK2THRBMCHR1CNR1
SCHEMBL17618479 0.89 THRB (0.42) THRBABL1TP53PDE4DPDE4A
SCHEMBL17618432 0.88 CNR1 (0.36) LRRK2TP53CNR1MAPT
SCHEMBL19670176 0.88 CNR1 (0.36) LRRK2TP53CNR1MAPT
SCHEMBL17618507 0.88 CNR1 (0.36) LRRK2TP53CNR1MAPT
SCHEMBL19699058 0.88 USP2 (0.35) MAPT
SCHEMBL17618740 0.88 ABL1 (0.38) ABL1HSD11B1

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 HDAC2 72/4885SSTR5 3205/4885LRRK2 657/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HDAC2 50/4885SSTR5 2648/4885LRRK2 533/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HDAC2 50/4885SSTR5 2648/4885LRRK2 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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