SCHEMBL19706070

SCHEMBL19706070

N#Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@@H]2CCCN3CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.38
▸ MCHR1 Q99705 4/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ GPR6 P46095 4/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ MAP4K1 Q92918 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
SCHEMBL19365378 0.94 LRRK2 (0.40) LRRK2MCHR1HDAC2CNR1HSD11B1
SCHEMBL17618585 0.94 LRRK2 (0.40) LRRK2MCHR1HDAC2CNR1HSD11B1
SCHEMBL17618516 0.94 LRRK2 (0.40) LRRK2MCHR1HDAC2CNR1HSD11B1
SCHEMBL17618482 0.92 HDAC2 (0.39) LRRK2MCHR1HDAC2CNR1HSD11B1
SCHEMBL19706194 0.89 THRB (0.41) LRRK2CNR1HSD11B1THRB
SCHEMBL19706087 0.87 HDAC2 (0.42) LRRK2MCHR1HDAC2GPR6HSD11B1
SCHEMBL17618740 0.86 ABL1 (0.38) HSD11B1
SCHEMBL16776248 0.85 GRM5 (0.38) LRRK2CNR1
SCHEMBL16776287 0.84 ABL1 (0.38) —
SCHEMBL17618702 0.83 MEN1 (0.39) —

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LRRK2 533/4885MCHR1 4256/4885HDAC2 50/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 LRRK2 533/4885MCHR1 4256/4885HDAC2 50/4885

“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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