SCHEMBL15218376

SCHEMBL15218376

Cn1cc(-c2cnccc2C(C)(C)C)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.54
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
TPX2 Q9ULW0 1/20 0.44
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.41
BRD4 O60885 1/20 0.41
CCNC P24863 5/20 0.41
CDK8 P49336 5/20 0.41
DYRK1A Q13627 1/20 0.40
FYN P06241 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
CHEK1 O14757 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL23032117 0.80 BRD4 (0.50) SLC22A12BRD4PDK2IRAK1
SCHEMBL15220120 0.78 SLC22A12 (0.51) SLC22A12AURKAAURKBINCENPTPX2
SCHEMBL14953387 0.77 SLC22A12 (0.50) SLC22A12AURKAAURKBINCENPTPX2
SCHEMBL30956731 0.77 SLC22A12 (0.50) SLC22A12AURKAAURKBINCENPTPX2
SCHEMBL20576799 0.76 KIF11 (0.38) SLC22A12MAPTMAPK1
SCHEMBL31411009 0.74 MELK (0.48) SLC22A12AURKAAURKBINCENPTPX2
SCHEMBL26988787 0.74 MELK (0.48) SLC22A12AURKAAURKBINCENPTPX2
SCHEMBL12277223 0.74 SLC22A12 (0.50) SLC22A12AURKACDK2
SCHEMBL30288907 0.73 AURKB (0.50) SLC22A12AURKAAURKBINCENPTPX2
SCHEMBL28978238 0.73 AURKB (0.50) SLC22A12AURKAAURKBINCENPTPX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225581-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2013-08-29 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-20130225581-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE FGFR3, FGFR1, FGFR4 SLC22A12 2875/4885AURKA 455/4885AURKB 796/4885

“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.