SCHEMBL19977121

SCHEMBL19977121

CC(C)(C)OC(=O)NCCCn1ncc(/N=N/c2ncc[nH]2)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
DYRK1A Q13627 1/20 0.35
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 3/20 0.34
DRD2 P14416 2/20 0.34
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
PDPK1 O15530 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
SCHEMBL19970375 0.85 ITGB3 (0.33)
SCHEMBL19984452 0.83 CSNK2A2 (0.38) CSNK2A2CSNK2A1STK17BSTK17ADYRK1A
SCHEMBL19977077 0.80 CSNK2A2 (0.36) CSNK2A2CSNK2A1STK17BSTK17ADYRK1A
SCHEMBL19977079 0.78 CSNK2A2 (0.36) CSNK2A2CSNK2A1STK17BSTK17ADYRK1A
SCHEMBL19970419 0.77 CYP1A2 (0.34) CYP3A4ALDH1A1
SCHEMBL19970418 0.75 TLR8 (0.34) CYP3A4ALDH1A1
SCHEMBL19970416 0.75 TLR8 (0.34) CYP3A4ALDH1A1
SCHEMBL19970417 0.74 ALDH1A1 (0.33) CYP3A4ALDH1A1
SCHEMBL19970363 0.74 ALDH1A1 (0.36) POLBCYP3A4ALDH1A1
SCHEMBL19970358 0.74 ALDH1A1 (0.36) POLBCYP3A4ALDH1A1

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
EP-3512604-B1 STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE WELLA OPERATIONS US LLC (US) 2023-05-31 EP disclosed
US-20180079907-A1 Stable Yellow Imidazolium Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-20180078477-A1 Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-9918919-B1 Method of coloring hair with washfast yellow imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-03-20 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 (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-20180078477-A1 Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye Compounds WASHC4, TYR, WASHC5 CSNK2A2 2971/4885CSNK2A1 2728/4885STK17B 1203/4885
US-20180079907-A1 Stable Yellow Imidazolium Compounds IK, NDUFV1, NDUFV2 CSNK2A2 186/4885CSNK2A1 244/4885STK17B 2955/4885

“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.