SCHEMBL17618392

SCHEMBL17618392

COc1nccc(NC(=O)N2c3nc(-c4cccc(F)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.39
▸ GPR6 P46095 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ NEK2 P51955 1/20 0.36
▸ MAP4K4 O95819 3/20 0.35
▸ TACR3 P29371 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ CDK2 P24941 3/20 0.34
▸ CDK1 P06493 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ CDK3 Q00526 2/20 0.34
▸ CDK5 Q00535 2/20 0.34
▸ EGFR P00533 2/20 0.34
▸ CCNA1 P78396 2/20 0.34
▸ PDE4A P27815 1/20 0.34

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
SCHEMBL19706206 0.91 CA9 (0.37) NTRK1MAP4K1NEK2PIK3CAMTOR
SCHEMBL17618381 0.91 CCNE1 (0.37) NTRK1MAP4K1HCRTR1HCRTR2NEK2
SCHEMBL17618382 0.90 CA2 (0.39) NEK2HPGDSKMOCDK2EGFR
SCHEMBL17618487 0.89 CARM1 (0.38) NTRK1MAP4K1NEK2EGFRERBB2
SCHEMBL17618476 0.89 ABL1 (0.39) NEK2HPGDSPIK3CAMTORCDK2
SCHEMBL17618481 0.89 GPR6 (0.40) GPR6PDE4APDE4BPDE4CPDE4D
SCHEMBL17618397 0.88 HPGDS (0.34) NTRK1MAP4K1MAP4K4HPGDSKMO
SCHEMBL19670254 0.87 NEK2 (0.34) NTRK1MAP4K1HCRTR1HCRTR2NEK2
SCHEMBL16249952 0.86 CA2 (0.38) HCRTR1HCRTR2HPGDSKMO
SCHEMBL19699042 0.85 FAAH (0.38) MAP4K4HPGDSKMOPDE4APDE4B

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 NTRK1 4714/4885MAP4K1 1876/4885GPR6 3200/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NTRK1 4730/4885MAP4K1 2341/4885GPR6 2629/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NTRK1 4730/4885MAP4K1 2341/4885GPR6 2629/4885

“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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