SCHEMBL19699087

SCHEMBL19699087

O=C(Nc1ccncc1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC1CC2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.39
▸ TRPV1 Q8NER1 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PORCN Q9H237 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1C Q13936 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
SCHEMBL16776287 0.93 ABL1 (0.38) ABL1GSK3BDYRK1ACYP3A4CYP2D6
SCHEMBL16238766 0.90 TRPV1 (0.40) TRPV1CACNA1H
SCHEMBL16776288 0.88 CHRM4 (0.39) ABL1GSK3BDYRK1ACYP3A4CYP2D6
SCHEMBL16776268 0.86 PRMT5 (0.35) ABL1GSK3BDYRK1A
SCHEMBL16776276 0.86 GSK3B (0.40) ABL1GSK3BDYRK1ACYP3A4CYP2D6
SCHEMBL17618747 0.86 ABL1 (0.36) ABL1GSK3BDYRK1ACACNA1H
SCHEMBL16776286 0.86 GSK3B (0.39) ABL1TRPV1GSK3BDYRK1ACYP3A4
SCHEMBL16238591 0.83 CYP11B2 (0.40) ABL1GSK3BDYRK1ACYP3A4CYP2D6
SCHEMBL16249978 0.83 CREBBP (0.42) GSK3BDYRK1A
SCHEMBL16776290 0.83 SLC27A1 (0.38) ABL1GSK3BDYRK1ACYP3A4CYP2D6

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885TRPV1 3670/4885GSK3B 1728/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ABL1 4089/4885TRPV1 3670/4885GSK3B 1728/4885

“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.

Send feedback