SCHEMBL19689811

SCHEMBL19689811

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4ccn(C)n4)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.42
▸ WNT1 P04628 1/20 0.38
▸ GSK3B P49841 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ PRKD1 Q15139 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.35
▸ PIP5K1C O60331 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ WNT3A P56704 2/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ POLQ O75417 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ JMJD6 Q6NYC1 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
SCHEMBL17778803 1.00 DYRK1A (0.42) DYRK1AWNT1GSK3BABL1MAPK1
SCHEMBL16754400 0.94 PRKD1 (0.37) DYRK1AWNT1ABL1MAPK1PRKD1
SCHEMBL17778323 0.90 KARS1 (0.40) GSK3BABL1MAPK1WNT3AMTOR
SCHEMBL16754282 0.90 KARS1 (0.40) GSK3BABL1MAPK1WNT3AMTOR
SCHEMBL17778912 0.89 IRAK4 (0.35) DYRK1AABL1MAPK1IRAK4PIK3C3
SCHEMBL19689781 0.89 IRAK4 (0.35) DYRK1AABL1MAPK1IRAK4PIK3C3
SCHEMBL17778914 0.89 DYRK1A (0.43) DYRK1AWNT1GSK3BABL1IRAK4
SCHEMBL17768178 0.88 ABL1 (0.37) GSK3BABL1MAPK1IRAK4WNT3A
SCHEMBL17767957 0.88 ABL1 (0.37) GSK3BABL1MAPK1IRAK4WNT3A
SCHEMBL17768095 0.88 ABL1 (0.37) GSK3BABL1MAPK1IRAK4WNT3A

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 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 (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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 3048/4885WNT1 3338/4885GSK3B 2322/4885

“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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