SCHEMBL19656644

SCHEMBL19656644

CC(C)(C)c1ccc2ccc(C#N)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.55
CSNK1D P48730 7/20 0.45
CSNK1G2 P78368 6/20 0.44
CSNK1A1 P48729 2/20 0.44
GSK3B P49841 2/20 0.44
CCR9 P51686 1/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
CYP2A6 P11509 1/20 0.39
EPHX2 P34913 1/20 0.39
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
PTPN1 P18031 2/20 0.37
PTPN2 P17706 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CYP11B1 P15538 1/20 0.36

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
SCHEMBL19798867 0.94 KIF11 (0.57) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL25582011 0.89 KIF11 (0.52) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL1341822 0.81 CYP2A6 (0.52) SLC6A2SLC6A4SLC6A3IMPDH2IMPDH1
SCHEMBL30010643 0.81 ALDH1A1 (0.50) KIF11CYP2A6KCNH2PTPN1CA1
SCHEMBL7521505 0.81 ALDH1A1 (0.50) KIF11CYP2A6KCNH2PTPN1CA1
SCHEMBL29489123 0.81 CYP2A6 (0.52) SLC6A2SLC6A4SLC6A3IMPDH2IMPDH1
SCHEMBL24617136 0.80 KIF11 (0.70) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL18118556 0.80 KIF11 (0.70) KIF11CYP11B1CYP11B2
SCHEMBL29716646 0.78 KIF11 (0.42) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL1893774 0.78 KIF11 (0.42) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B

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
US-20220220084-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-14 US disclosed
WO-2021135725-A1 ORGANIC COMPOUND, ELECTRONIC DEVICE AND ELECTRONIC APPARATUS USING SAME 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
US-10763449-B2 Organic light-emitting diode (OLED) display panel, fabrication method and electronic device thereof Shanghai Tianma AM-OLED Co., Ltd. (CN) 2020-09-01 US disclosed
US-20170346032-A1 ORGANIC LIGHT-EMITTING DIODE (OLED) DISPLAY PANEL, FABRICATION METHOD AND ELECTRONIC DEVICE THEREOF WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-11-30 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-20220220084-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS EXOC4, CYBA, SCO2 KIF11 3243/4885CSNK1D 2537/4885CSNK1G2 2692/4885

“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.