SCHEMBL17618720

SCHEMBL17618720

COc1cc(NC(=O)N2c3nc(-c4cnccc4C)ccc3N3CCC[C@H]2C3)ncn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ MAP4K1 Q92918 8/20 0.39
▸ PIM2 Q9P1W9 2/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ RPS6KA2 Q15349 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
SCHEMBL17618721 0.88 PIM1 (0.40) ABL1MAP4K1PIM2PIM1
SCHEMBL17618663 0.88 FAAH (0.42) FGFR4PIM2PIM1FAAHRPS6KA2
SCHEMBL17618734 0.86 FGFR4 (0.40) FGFR4PIM2FAAHRPS6KA2
SCHEMBL17618722 0.86 PIM1 (0.40) ABL1MAP4K1PIM2PIM1
SCHEMBL17618693 0.85 FGFR4 (0.40) ABL1FGFR4FAAHRPS6KA2
SCHEMBL17618710 0.84 PIM2 (0.40) ABL1MAP4K1PIM2PIM1
SCHEMBL17618631 0.84 FGFR4 (0.39) ABL1FGFR4FAAHRPS6KA2
SCHEMBL17618632 0.84 FGFR4 (0.39) ABL1FGFR4PIM2FAAHRPS6KA2
SCHEMBL17618662 0.83 FAAH (0.39) ABL1FGFR4PIM2FAAHRPS6KA2
SCHEMBL17618724 0.82 FAAH (0.38) ABL1MAP4K1PIM2PIM1FAAH

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 ABL1 3987/4885FGFR4 2275/4885MAP4K1 1876/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885FGFR4 1754/4885MAP4K1 2341/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ABL1 4089/4885FGFR4 1754/4885MAP4K1 2341/4885

“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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