SCHEMBL2252018

SCHEMBL2252018

CC(C)(C)c1ccc(-c2ccc(Br)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.53
DGAT1 O75907 2/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
XDH P47989 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
SCN5A Q14524 1/20 0.39
LMNA P02545 2/20 0.38
TYR P14679 1/20 0.38
HTR1D P28221 1/20 0.38
ADRA1A P35348 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
TP53 P04637 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
SCHEMBL13010773 0.85 TSHR (0.39) KIF11DGAT1CA12CA9NPC1
SCHEMBL12525207 0.79 KIF11 (0.53) KIF11DGAT1CA12CA9XDH
SCHEMBL12524849 0.79 KIF11 (0.53) KIF11DGAT1CA12CA9XDH
SCHEMBL12173602 0.79 KIF11 (0.53) KIF11DGAT1CA12CA9XDH
SCHEMBL1622124 0.79 KIF11 (0.58) KIF11DGAT1CA12CA9XDH
SCHEMBL12523556 0.79 KIF11 (0.53) KIF11DGAT1CA12CA9XDH
SCHEMBL14062425 0.79 KIF11 (0.53) KIF11DGAT1CA12CA9XDH
SCHEMBL787481 0.79 CYP19A1 (0.44) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL29740319 0.79 CYP19A1 (0.44) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL1622275 0.79 MKNK1 (0.54) KIF11RAB9ATEKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930329-B1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT TOSOH CORP (JP) 2012-10-24 EP disclosed
US-7994316-B2 1,3,5-triazine derivative, production method thereof and organic electroluminescence device comprising this as a composing component TOSOH CORPORATION (JP) 2011-08-09 US disclosed
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT TOSOH CORPORATION (JP) 2009-11-12 US disclosed
CN-101248058-A 1, 3, 5-triazine derivative, method for producing the same and organic electroluminescent device comprising the same as constituent TOSOH CORP (JP) 2008-08-20 CN disclosed
EP-1930329-A1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT Tosoh Corporation (JP) 2008-06-11 EP 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-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT KCNJ2, KCNA4, KCNJ4 KIF11 3826/4885DGAT1 3829/4885CA12 4031/4885

“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.