SCHEMBL849958

SCHEMBL849958

CC(C)(C)c1[nH]nc(N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
GRM5 P41594 2/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
THRB P10828 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
PBK Q96KB5 1/20 0.34
SRPK1 Q96SB4 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 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
SCHEMBL31277728 0.86 KDM4E (0.42) KDM4EPOLBMAPK1GRM5ALDH1A1
SCHEMBL29330366 0.73 GRM5 (0.37) KDM4EPOLBMAPK1GRM5ALDH1A1
SCHEMBL163701 0.72
SCHEMBL8036925 0.72 L3MBTL1 (0.33)
SCHEMBL11463109 0.70 KDM4E (0.53) KDM4EPOLBMAPK1ALDH1A1TSHR
SCHEMBL20583714 0.68
SCHEMBL8747806 0.68 GAA (0.36) MAPK1MAPTGAA
SCHEMBL718065 0.68 PRKACA (0.43) KDM4EPOLBMAPK1GRM5PRKACA
SCHEMBL11546051 0.68 KDM4E (0.50) KDM4EPOLBMAPK1ALDH1A1TSHR
SCHEMBL4859549 0.68 KDM4E (0.43) KDM4EPOLBMAPK1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910325-B Surface-treated carbon black aqueous dispersion and method for producing same TOKAI CARBON KK 2013-09-25 CN disclosed
EP-2243806-B1 METHOD OF PRODUCING AN AQUEOUS DISPERSION OF SURFACE-TREATED CARBON BLACK TOKAI CARBON KK (JP) 2012-03-28 EP disclosed
US-20110253008-A1 AQUEOUS DISPERSION OF SURFACE-TREATED CARBON BLACK AND METHOD OF PRODUCING THE SAME TOKAI CARBON CO., LTD. 2011-10-20 US disclosed
US-20110202942-A1 OPTICAL INFORMATION RECORDING MEDIUM, METHOD OF RECORDING INFORMATION AND PHOTOSENSITIZER FUJIFILM CORPORATION (JP) 2011-08-18 US disclosed
CN-101910325-A Surface-treated carbon black aqueous dispersion and method for producing same TOKAI CARBON KK 2010-12-08 CN disclosed
US-20100269732-A1 AQUEOUS DISPERSION OF SURFACE-TREATED CARBON BLACK AND METHOD OF PRODUCING THE SAME TOKAI CARBON CO., LTD. (JP) 2010-10-28 US disclosed
EP-2243806-A1 AQUEOUS DISPERSION OF SURFACE-TREATED CARBON BLACK AND METHOD OF PRODUCING THE SAME Tokai Carbon Co., Ltd. (JP) 2010-10-27 EP disclosed
US-7160933-B2 Image quality and durability; scratch and smudge resistance; water, humectant and particles comprised of water insoluble dye and polymer phase associated with costabilizer EASTMAN KODAK COMPANY (US) 2007-01-09 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-20110202942-A1 OPTICAL INFORMATION RECORDING MEDIUM, METHOD OF RECORDING INFORMATION AND PHOTOSENSITIZER KCNN4, IK, KCNJ2 KDM4E 2051/4885POLB 3053/4885MAPK1 294/4885

“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.