SCHEMBL19706309

SCHEMBL19706309

COc1cc(-c2ccc3c(n2)N(C(O)Nc2cnccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ MAPT P10636 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CDK6 Q00534 1/20 0.37
▸ HPGDS O60760 1/20 0.36
▸ PRKD1 Q15139 5/20 0.35
▸ MTOR P42345 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ KARS1 Q15046 1/20 0.33
▸ KIT P10721 4/20 0.33
▸ PRKD2 Q9BZL6 1/20 0.33
▸ USP30 Q70CQ3 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
SCHEMBL19670505 0.92 PRKD1 (0.34) PRKD1KARS1KITPRKD2
SCHEMBL19706209 0.91 SMPD3 (0.34) HRH3KCNH2PRKD1
SCHEMBL19670635 0.87 PRKD1 (0.35) PRKD1KARS1PRKD2
SCHEMBL19706213 0.85 PRKD1 (0.33) HRH3PRKD1PDE10AKARS1
SCHEMBL19670237 0.84 PRKD1 (0.33) PRKD1KARS1
SCHEMBL19706211 0.83 SMN1; SMN2 (0.36) PRKD1PDE10AKARS1
SCHEMBL16754628 0.83 HPGDS (0.41) HRH3KCNH2MAPTCDK4CDK6
SCHEMBL19670481 0.80 KARS1 (0.41) HRH3MAPTPRKD1KARS1
SCHEMBL19670367 0.80 CCNC (0.34) —
SCHEMBL19670673 0.79 JAK3 (0.33) KCNH2MTORUSP30

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 2 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

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 HRH3 2288/4885KCNH2 4052/4885MAPT 267/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HRH3 2288/4885KCNH2 4052/4885MAPT 267/4885

“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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