SCHEMBL17618479

SCHEMBL17618479

N#Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccnc2)[C@H]2CCN3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.42
▸ CACNA1G O43497 1/20 0.41
▸ CACNA1H O95180 1/20 0.41
▸ CACNA1I Q9P0X4 1/20 0.41
▸ HTR2A P28223 4/20 0.41
▸ HTR2C P28335 4/20 0.41
▸ ATR Q13535 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ PDE4D Q08499 3/20 0.39
▸ BRAF P15056 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ SGMS2 Q8NHU3 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ PDGFRA P16234 1/20 0.38

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
SCHEMBL16238326 0.95 CACNA1G (0.40) THRBCACNA1GCACNA1HCACNA1IHTR2A
SCHEMBL17618505 0.95 CACNA1G (0.40) THRBCACNA1GCACNA1HCACNA1IHTR2A
SCHEMBL17770603 0.95 CACNA1G (0.40) THRBCACNA1GCACNA1HCACNA1IHTR2A
SCHEMBL19706194 0.92 THRB (0.41) THRBCACNA1GCACNA1HCACNA1IHTR2A
SCHEMBL17618482 0.89 HDAC2 (0.39) THRBTP53PDE4DPDE4APDE4B
SCHEMBL17618489 0.88 THRB (0.44) THRBTP53PDE4DPDE4APDE4B
SCHEMBL17618428 0.88 TSHR (0.46) HTR2AHTR2CTP53ABL1BCR
SCHEMBL19699039 0.88 HTR2C (0.46) CACNA1GCACNA1HCACNA1IHTR2AHTR2C
SCHEMBL19699049 0.87 IDO1 (0.45) THRBTP53
SCHEMBL17618453 0.87 GPR6 (0.39) THRBPDE4DPDE4APDE4BPDE4C

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 THRB 1653/4885CACNA1G 4434/4885CACNA1H 4353/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 THRB 2054/4885CACNA1G 4560/4885CACNA1H 4445/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 THRB 2054/4885CACNA1G 4560/4885CACNA1H 4445/4885

“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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