SCHEMBL17618524

SCHEMBL17618524

CN(C)[C@H]1CCN(c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@H]2CCN3C2)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ TEK Q02763 2/20 0.39
▸ MELK Q14680 4/20 0.38
▸ MCHR1 Q99705 3/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.37
▸ HRH4 Q9H3N8 2/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ P2RX7 Q99572 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ WDR5 P61964 2/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 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
SCHEMBL17618523 0.91 MCHR1 (0.38) LCKKDRTEKMELKMCHR1
SCHEMBL16238365 0.86 HTR2C (0.41) MCHR1HRH3HRH4MAP4K4
SCHEMBL16754613 0.86 HTR2C (0.41) MCHR1HRH3HRH4MAP4K4
Hydrochloric Acid SCHEMBL16238890 0.86 HTR2C (0.40) MCHR1HRH3HRH4MAP4K4
Hydrochloric Acid SCHEMBL16238891 0.86 HTR2C (0.40) MCHR1HRH3HRH4MAP4K4
SCHEMBL17618528 0.85 MAP4K4 (0.39) LCKKDRTEKMELKMCHR1
SCHEMBL17624461 0.84 TRPV3 (0.40) MAP4K4ABL1
SCHEMBL19670278 0.83 MCHR1 (0.37) MELKMCHR1HRH3HRH4MAP4K4
SCHEMBL17618532 0.82 PRNP (0.39) LCKKDRTEKMELKMCHR1
SCHEMBL17618542 0.82 ABL1 (0.35) HRH3ABL1

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 LCK 2933/4885KDR 1526/4885TEK 1398/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LCK 2894/4885KDR 1697/4885TEK 1149/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 LCK 2894/4885KDR 1697/4885TEK 1149/4885

“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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