SCHEMBL16776516

SCHEMBL16776516

CC(=O)c1cc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 3/20 0.37
▸ PRKD1 Q15139 11/20 0.37
▸ PRKD2 Q9BZL6 1/20 0.35
▸ FAAH O00519 2/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ IRAK4 Q9NWZ3 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
SCHEMBL16754636 0.92 KARS1 (0.38) KARS1PRKD1PRKD2FAAHGSK3B
SCHEMBL16754416 0.92 PRKD1 (0.36) KARS1PRKD1PRKD2FAAHGSK3B
SCHEMBL16754300 0.92 PRKD1 (0.39) KARS1PRKD1PRKD2FAAHGSK3B
SCHEMBL17778385 0.91 WNT3A (0.40) KARS1PRKD1PRKD2
SCHEMBL16238798 0.91 WNT3A (0.40) KARS1PRKD1PRKD2
SCHEMBL16754278 0.91 WNT3A (0.40) KARS1PRKD1PRKD2
SCHEMBL16754666 0.89 KARS1 (0.37) KARS1PRKD1PRKD2FAAHGSK3B
SCHEMBL17618560 0.89 WNT3A (0.40) KARS1PRKD1FAAHGSK3B
SCHEMBL16754451 0.89 PRKD1 (0.36) KARS1PRKD1PRKD2FAAHGSK3B
SCHEMBL16754621 0.89 PRKD1 (0.37) KARS1PRKD1PRKD2FAAHGSK3B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (1 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1760/4885PRKD1 2346/4885PRKD2 1825/4885

“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