SCHEMBL5864604

SCHEMBL5864604

Nc1snc2ccncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.38
DYRK1A Q13627 2/20 0.38
AXL P30530 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EGFR P00533 2/20 0.34
HSP90AA1 P07900 1/20 0.33
CSNK1D P48730 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
SCHEMBL17697140 0.77 HDAC8 (0.33) AXLEP300KAT2BKAT8KDM4E
SCHEMBL12795245 0.75 ACHE (0.34) AXLEP300KAT2BKAT8KDM4E
SCHEMBL4025561 0.71 KDM4E (0.45) KDM4EPOLBHTTRAD52GAA
SCHEMBL17303505 0.71 HTR6 (0.33)
SCHEMBL15935237 0.71 XPO1 (0.31)
SCHEMBL1652259 0.67 AXL (0.45) CLK1DYRK1AAXLEP300KAT2B
SCHEMBL31587098 0.67 ALDH1A1 (0.55) DYRK1AAXLEP300KAT2BKAT8
SCHEMBL9722741 0.65 MAPT (0.43) KDM4ERAD52GAALMNACYP3A4
SCHEMBL11200595 0.64 GPR3 (0.41) AXLEP300KAT2BKAT8KDM4E
SCHEMBL2879912 0.64 NCF1 (0.57) CLK1DYRK1AAXLEP300KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063142-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-01-30 EP disclosed
US-9951052-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2018-04-24 US disclosed
US-20160257670-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2016-09-08 US disclosed
US-7138539-B2 Colorant compounds containing copolymerizable vinyl groups EASTMAN CHEMICAL COMPANY (US) 2006-11-21 US disclosed
US-7060829-B2 Colorant compounds containing copolymerizable vinyl groups EASTMAN CHEMICAL COMPANY (US) 2006-06-13 US disclosed
US-7030244-B2 Colorant compounds containing copolymerizable vinyl groups EASTMAN CHEMICAL COMPANY (US) 2006-04-18 US disclosed
US-20060052589-A1 Colorant compounds containing copolymerizable vinyl groups CYR MICHAEL J 2006-03-09 US disclosed
US-6727372-B2 PHOTOPOLYMERIZATION; ADDITION POLYMERS EASTMAN CHEMICAL COMPANY 2004-04-27 US disclosed
US-20040059124-A1 Colorant compounds containing copolymerizable vinyl groups CYR MICHAEL JOHN (US) 2004-03-25 US disclosed
US-20020132874-A1 Colorant compounds containing copolymerizable vinyl groups EASTMAN CHEMICAL COMPANY 2002-09-19 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-20040059124-A1 Colorant compounds containing copolymerizable vinyl groups ALOX5, ALAD, EED CLK1 4359/4885DYRK1A 4435/4885AXL 2790/4885
US-20160257670-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 CLK1 642/4885DYRK1A 2326/4885AXL 2321/4885
US-20060052589-A1 Colorant compounds containing copolymerizable vinyl groups ALOX5, ALAD, EED CLK1 4359/4885DYRK1A 4435/4885AXL 2790/4885

“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.