SCHEMBL19670616

SCHEMBL19670616

CCOc1ncc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H]2CCN3C2)cc1/C=N/C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ FAAH O00519 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MTOR P42345 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RAF1 P04049 1/20 0.30
▸ BRAF P15056 1/20 0.30
▸ PIK3CA P42336 1/20 0.30

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
SCHEMBL19670501 0.86 FAAH (0.35) FAAHDYRK1APIK3CA
SCHEMBL16754339 0.86 PIK3CD (0.35) PIK3CA
SCHEMBL17778732 0.86 PIK3CD (0.35) PIK3CA
SCHEMBL19670642 0.85 KDM4E (0.32) KDM4ETP53FAAHRAB9ADYRK1A
SCHEMBL19706574 0.85 FAAH (0.35) KDM4EFAAHDYRK1A
SCHEMBL19706066 0.83 FAAH (0.35) FAAHDYRK1AMEN1KMT2A
SCHEMBL19670259 0.83 FAAH (0.35) FAAHDYRK1AMEN1KMT2A
SCHEMBL16754396 0.83 PRKD1 (0.36) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL16754503 0.82 FAAH (0.36) KDM4ETP53FAAHRAB9ADYRK1A
SCHEMBL17778328 0.81 FAAH (0.36) ALDH1A1MAPTTP53FAAHRAB9A

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 4 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 1355/4885ALDH1A1 993/4885MAPT 306/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 950/4885ALDH1A1 1726/4885MAPT 267/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KDM4E 950/4885ALDH1A1 1726/4885MAPT 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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