SCHEMBL17618662

SCHEMBL17618662

COc1cc(NC(=O)N2c3nc(-c4ccccc4C#N)ccc3N3CCC[C@H]2C3)ncn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ FGFR4 P22455 6/20 0.38
▸ PIM2 Q9P1W9 1/20 0.36
▸ LRRK2 Q5S007 4/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ ABL1 P00519 2/20 0.34
▸ RPS6KA2 Q15349 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33

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
SCHEMBL17618504 0.86 LRRK2 (0.42) FAAHFGFR4LRRK2ALDH1A1JAK2
SCHEMBL17618667 0.86 PIM2 (0.37) FAAHPIM2LRRK2ABL1DPP4
SCHEMBL17618668 0.84 CHRM4 (0.36) FGFR4PIM2LRRK2ABL1DPP4
SCHEMBL17618720 0.83 ABL1 (0.39) FAAHFGFR4PIM2ABL1RPS6KA2
SCHEMBL17618663 0.83 FAAH (0.42) FAAHFGFR4PIM2LRRK2RPS6KA2
SCHEMBL17618672 0.82 PIM2 (0.38) FAAHPIM2LRRK2ABL1DPP4
SCHEMBL17618448 0.82 FAAH (0.40) FAAHFGFR4PIM2PDE10AKDM4E
SCHEMBL17618634 0.82 FAAH (0.41) FAAHFGFR4LRRK2ALDH1A1SMN1; SMN2
SCHEMBL17618693 0.82 FGFR4 (0.40) FAAHFGFR4ABL1RPS6KA2POLB
SCHEMBL17618651 0.82 FAAH (0.37) FAAHPIM2LRRK2DPP4

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 FAAH 1092/4885FGFR4 2275/4885PIM2 3491/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885PIM2 3242/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885PIM2 3242/4885

“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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