SCHEMBL17618552

SCHEMBL17618552

O=C(Nc1ccncn1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.38
▸ DYRK1A Q13627 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ RPS6KB1 P23443 4/20 0.34
▸ AR P10275 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ BRAF P15056 4/20 0.34
▸ SCN10A Q9Y5Y9 2/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ MPL P40238 1/20 0.33
▸ FAAH O00519 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
SCHEMBL17618619 0.95 PIM2 (0.37) ABL1DYRK1ASCN9AARGRIN2B
SCHEMBL17618350 0.91 MPL (0.43) SCN9ARPS6KB1AKT1MPLFAAH
SCHEMBL17618566 0.91 TRPV1 (0.40) ABL1DYRK1ACYP2C19PIK3CAGRIN2B
SCHEMBL17618498 0.91 MPL (0.43) SCN9ARPS6KB1AKT1MPLFAAH
SCHEMBL16249951 0.90 ABL1 (0.38) ABL1DYRK1ACYP2C19PIK3CARPS6KB1
SCHEMBL17618550 0.89 LPL (0.39) ABL1DYRK1AGRIN2BSCN10A
SCHEMBL17618526 0.88 FAAH (0.35) ABL1RPS6KB1CCNCCDK8FAAH
SCHEMBL17618572 0.87 ABL1 (0.37) ABL1DYRK1ACYP2C19BRAFSCN10A
SCHEMBL16238017 0.86 TRPV1 (0.39) ABL1DYRK1ABRAFSCN10APIM2
SCHEMBL17618363 0.86 MPL (0.42) SCN9ARPS6KB1MPL

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 3987/4885DYRK1A 2415/4885SCN9A 3407/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885DYRK1A 2623/4885SCN9A 3897/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ABL1 4089/4885DYRK1A 2623/4885SCN9A 3897/4885

“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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