SCHEMBL2508698

SCHEMBL2508698

Cc1cccc(C)c1-c1nc(Cl)nc(-c2c(C)cccc2C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
NFKB1 P19838 1/20 0.35
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 5/20 0.34
CD44 P16070 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR7 P34969 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL20110472 0.81 L3MBTL1 (0.50) CYP2A6CYP1A2ALDH1A1CD44SMN1; SMN2
SCHEMBL15855019 0.80 LMNA (0.37) HSP90AA1CYP2A6CYP1A2ALDH1A1CD44
SCHEMBL19412050 0.77 MEN1 (0.38) NFKB1CYP2A6CYP1A2ALDH1A1KDM4E
SCHEMBL12200494 0.77 CYP2A6 (0.50) CYP2A6CYP1A2ALDH1A1KDM4EHPGD
SCHEMBL4209540 0.77 NUDT1 (0.41) HSP90AA1CYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL12697515 0.76 CYP1A2 (0.49) HSP90AA1NFKB1CYP1A2ALDH1A1KDM4E
SCHEMBL13312929 0.74 CYP2A6 (0.36) CYP2A6CYP1A2ALDH1A1CD44HTR7
SCHEMBL17118867 0.73 NPC1 (0.44) CYP1A2ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL22344835 0.73 ALDH1A1 (0.39) HSP90AA1NFKB1CYP1A2ALDH1A1KDM4E
SCHEMBL8385680 0.73 MEN1 (0.38) NFKB1CYP2A6CYP1A2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765270-B2 Triazine compound and organic light emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-07-01 US disclosed
US-8765270-B2 Triazine compound and organic light emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-07-01 US disclosed
US-8765270-B2 Triazine compound and organic light emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-07-01 US disclosed
US-20110240983-A1 TRIAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 US disclosed
US-20110240983-A1 TRIAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 US disclosed
US-20110240983-A1 TRIAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 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-20110240983-A1 TRIAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME TERT, CYP1A1, NR2E3 HSP90AA1 4702/4885NFKB1 1179/4885CYP2A6 970/4885

“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.