SCHEMBL19365569

SCHEMBL19365569

N#Cc1cccc(-c2ccc(N)c(N(C(=O)Nc3ccncn3)C3CCCCC3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 7/20 0.41
▸ HDAC2 Q92769 1/20 0.40
▸ CPT2 P23786 3/20 0.39
▸ CPT1A P50416 3/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ CPT1B Q92523 1/20 0.39
▸ ATR Q13535 2/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.37
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ MERTK Q12866 1/20 0.36

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
SCHEMBL19364891 0.91 MCHR1 (0.42) MCHR1HDAC2CPT2CPT1AGRM5
SCHEMBL19670520 0.90 CPT1A (0.37) MCHR1HDAC2CPT1AATR
SCHEMBL19365297 0.89 HDAC2 (0.41) MCHR1HDAC2CPT2CPT1ACPT1B
SCHEMBL19703381 0.87 GRM5 (0.42) MCHR1GRM5ATR
SCHEMBL19365428 0.86 HDAC2 (0.48) MCHR1HDAC2CPT2CPT1ACPT1B
SCHEMBL19365747 0.86 MCHR1 (0.41) MCHR1HDAC2CPT2CPT1ACPT1B
SCHEMBL19365374 0.86 MCHR1 (0.41) MCHR1HDAC2CPT2CPT1ACPT1B
SCHEMBL19365606 0.86 ATR (0.48) HDAC2CPT2CPT1ACPT1BATR
SCHEMBL19670421 0.85 MPL (0.44) MCHR1CPT2CPT1ACPT1BATR
SCHEMBL19364819 0.85 MCHR1 (0.47) MCHR1HDAC2ATRPRKDC

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 3 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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 MCHR1 4256/4885HDAC2 50/4885CPT2 56/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MCHR1 4256/4885HDAC2 50/4885CPT2 56/4885

“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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