SCHEMBL16776496

SCHEMBL16776496

Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H]2CCN3C2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ GSK3B P49841 4/20 0.37
▸ DYRK1A Q13627 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PIM1 P11309 3/20 0.35
▸ FAAH O00519 1/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ PRKD1 Q15139 1/20 0.34
▸ KARS1 Q15046 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL16754291 0.91 KDM4E (0.35) KDM4ERAB9AGSK3BDYRK1AKMT2A
SCHEMBL17618518 0.91 PIK3CA (0.39) KDM4EGSK3BDYRK1AFAAHTP53
SCHEMBL16754278 0.90 WNT3A (0.40) ABL1PRKD1KARS1
SCHEMBL16238798 0.90 WNT3A (0.40) ABL1PRKD1KARS1
SCHEMBL17778385 0.90 WNT3A (0.40) ABL1PRKD1KARS1
SCHEMBL16754503 0.90 FAAH (0.36) KDM4ERAB9AGSK3BDYRK1AKMT2A
SCHEMBL17618678 0.89 KMO (0.36) KDM4ERAB9AGSK3BDYRK1AKMT2A
SCHEMBL16754300 0.89 PRKD1 (0.39) GSK3BDYRK1AFAAHPRKD1KARS1
SCHEMBL16754501 0.89 FAAH (0.36) KDM4ERAB9AGSK3BDYRK1AKMT2A
SCHEMBL17778903 0.88 FAAH (0.35) KDM4ERAB9AGSK3BDYRK1AKMT2A

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
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 KDM4E 950/4885RAB9A 1471/4885GSK3B 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.

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