SCHEMBL14897129

SCHEMBL14897129

Cc1nc2ccc(-c3ccccc3C(F)(F)F)nn2c1C(=O)Nc1cnccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 3/20 0.42
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ LIMK1 P53667 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ STK3 Q13188 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ BRSK1 Q8TDC3 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41

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
SCHEMBL14896789 0.91 GRM5 (0.40) CSNK1DALOX15NPSR1MPLATR
SCHEMBL16193155 0.88 ATR (0.38) TSHRHSD17B10ALOX15MPLATR
SCHEMBL14897428 0.88 CHRNB2 (0.43) CSNK1DCLK4TSHRHSD17B10ALOX15
SCHEMBL16193152 0.86 RIPK1 (0.42) DYRK1A
SCHEMBL14897132 0.86 GRM5 (0.40) CSNK1DATRRAB9ACSNK1ENPC1
SCHEMBL14897686 0.86 PHGDH (0.44) GSK3ATSHRALOX15LMNARAB9A
SCHEMBL14896760 0.86 TYK2 (0.43) MPLATRSMN1; SMN2LMNARAB9A
SCHEMBL16193076 0.85 PIM2 (0.40) CSNK1DGSK3AGSK3BATRLMNA
SCHEMBL14897023 0.85 TSHR (0.42) CSNK1DGSK3AGSK3BDYRK3PRKD3
SCHEMBL14881923 0.85 RAB9A (0.43) TSHRALOX15SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 — — WO disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — WO 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-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CSNK1D 4544/4885GSK3A 1500/4885GSK3B 1201/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CSNK1D 4544/4885GSK3A 1500/4885GSK3B 1201/4885

“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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