SCHEMBL2250286

SCHEMBL2250286

CC(C)(C)c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccnc5)cc4)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.83
NPC1 O15118 4/20 0.50
MKNK1 Q9BUB5 4/20 0.50
MKNK2 Q9HBH9 4/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2A6 P11509 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAP3K5 Q99683 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
S1PR1 P21453 1/20 0.48
THRB P10828 1/20 0.46

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
SCHEMBL19735248 0.95 KIF11 (0.74) KIF11NPC1RAB9AALDH1A1CYP2A6
SCHEMBL20805743 0.95 KIF11 (0.74) KIF11NPC1RAB9AALDH1A1CYP2A6
SCHEMBL23666164 0.91 KIF11 (1.00) KIF11NPC1MKNK1MKNK2RAB9A
SCHEMBL1623940 0.91 KIF11 (1.00) KIF11NPC1MKNK1MKNK2RAB9A
SCHEMBL29988549 0.89 KIF11 (0.66) KIF11MKNK1MKNK2ALDH1A1CYP2A6
SCHEMBL23928360 0.89 KIF11 (0.66) KIF11MKNK1MKNK2ALDH1A1CYP2A6
SCHEMBL23959721 0.84 KIF11 (0.59) KIF11NPC1MKNK1MKNK2RAB9A
SCHEMBL25878173 0.84 KIF11 (0.58) KIF11NPC1MKNK1MKNK2RAB9A
Pyridine SCHEMBL28773854 0.83 KIF11 (0.56) KIF11NPC1RAB9ALMNAMAPT
SCHEMBL2254917 0.82 CYP2A6 (0.62) KIF11NPC1MKNK1MKNK2RAB9A

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-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
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 3826/4885NPC1 3821/4885MKNK1 4297/4885

“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.