SCHEMBL17618528

SCHEMBL17618528

Cc1cc(NC(=O)N2c3nc(N4CC[C@H](N(C)C)C4)ccc3N3CC[C@H]2C3)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.39
▸ HRH3 Q9Y5N1 6/20 0.39
▸ MCHR1 Q99705 3/20 0.38
▸ LCK P06239 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ TEK Q02763 2/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ HRH4 Q9H3N8 3/20 0.37
▸ P2RX7 Q99572 2/20 0.37
▸ MELK Q14680 2/20 0.37

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
SCHEMBL17618523 0.88 MCHR1 (0.38) MAP4K4HRH3MCHR1LCKKDR
SCHEMBL17618524 0.85 LCK (0.39) MAP4K4HRH3MCHR1LCKKDR
SCHEMBL16238365 0.85 HTR2C (0.41) MAP4K4HRH3MCHR1HRH4
SCHEMBL16754613 0.85 HTR2C (0.41) MAP4K4HRH3MCHR1HRH4
Hydrochloric Acid SCHEMBL16238890 0.84 HTR2C (0.40) MAP4K4HRH3MCHR1HRH4
Hydrochloric Acid SCHEMBL16238891 0.84 HTR2C (0.40) MAP4K4HRH3MCHR1HRH4
SCHEMBL17618532 0.82 PRNP (0.39) MAP4K4HRH3MCHR1LCKKDR
SCHEMBL17624471 0.82 TRPV3 (0.41) MAP4K4HRH3MCHR1
SCHEMBL17618530 0.81 PDE10A (0.40) MAP4K4HRH3MCHR1LCKKDR
SCHEMBL17618527 0.81 JAK2 (0.40) MAP4K4HRH3MCHR1LCKKDR

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 MAP4K4 1867/4885HRH3 2667/4885MCHR1 4022/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAP4K4 2229/4885HRH3 2288/4885MCHR1 4256/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAP4K4 2229/4885HRH3 2288/4885MCHR1 4256/4885

“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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