SCHEMBL2303238

SCHEMBL2303238

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(-c5cnccn5)cc4)cc(-c4ccc(-c5cnccn5)cc4)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL18325203 0.94 MEN1 (0.47) CYP2D6CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL18325359 0.94 MEN1 (0.47) CYP2D6CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL18325346 0.92 MEN1 (0.43) CYP19A1CYP2C9MEN1KMT2ADHODH
SCHEMBL18325229 0.92 MEN1 (0.43) CYP19A1CYP2C9MEN1KMT2ADHODH
SCHEMBL18325228 0.88 PIM2 (0.42) CYP2D6CYP19A1CYP2C9CYP2C19DHODH
SCHEMBL18325297 0.87 PIM2 (0.43) CYP2D6CYP19A1CYP2C9CYP2C19DHODH
SCHEMBL23996433 0.86 MEN1 (0.43) CYP2D6CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL18325284 0.86 CYP2D6 (0.48) CYP2D6CYP19A1CYP2C9CYP2C19DHODH
SCHEMBL18327595 0.86 MEN1 (0.47) CYP2D6CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL18327322 0.86 MEN1 (0.47) CYP2D6CYP19A1CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735577-B2 1,3,5-triazine derivative, process for producing same, and organic electroluminescent element comprising same as constituent component TOSOH CORPORATION (JP) 2014-05-27 — — US disclosed
US-8735577-B2 1,3,5-triazine derivative, process for producing same, and organic electroluminescent element comprising same as constituent component TOSOH CORPORATION (JP) 2014-05-27 — — US disclosed
US-8735577-B2 1,3,5-triazine derivative, process for producing same, and organic electroluminescent element comprising same as constituent component TOSOH CORPORATION (JP) 2014-05-27 — — US disclosed
EP-2351750-B1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME AS CONSTITUENT TOSOH CORP (JP) 2014-03-12 — — EP disclosed
EP-2351750-B1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME AS CONSTITUENT TOSOH CORP (JP) 2014-03-12 — — EP disclosed
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2011-08-04 — — US disclosed
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2011-08-04 — — US disclosed
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2011-08-04 — — US disclosed
EP-2351750-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT Tosoh Corporation (JP) 2011-08-03 — — EP disclosed
EP-2351750-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT Tosoh Corporation (JP) 2011-08-03 — — EP disclosed
WO-2010038854-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT 東ソー株式会社 (JP) 2010-04-08 — — WO 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-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT ASH2L, SETDB1, KAT5 CYP2D6 3456/4885CYP19A1 1264/4885CYP2C9 2865/4885

“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.

Send feedback