SCHEMBL17045019

SCHEMBL17045019

Clc1cccc(-c2ncncn2)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.47
NOTUM Q6P988 2/20 0.42
IDO1 P14902 1/20 0.42
P2RX7 Q99572 5/20 0.41
GRM5 P41594 1/20 0.41
CYP2D6 P10635 1/20 0.40
MAOA P21397 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SCN4A P35499 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE3A Q14432 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
NUDT1 P36639 3/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL29458391 0.85 CNR2 (0.44) CNR2NOTUMIDO1P2RX7GRM5
SCHEMBL6439475 0.83 CNR2 (0.50) CNR2NOTUMIDO1P2RX7GRM5
SCHEMBL28480789 0.81 AHR (0.43) CNR2P2RX7MAPK1
SCHEMBL9948027 0.76 CNR2 (0.39) CNR2NOTUMIDO1P2RX7GRM5
SCHEMBL4451568 0.75 NOTUM (0.46) CNR2NOTUMIDO1P2RX7GRM5
SCHEMBL16731968 0.74 ALDH1A1 (0.37) IDO1CYP2D6MAOAMAPK1BLM
SCHEMBL440943 0.74 TSHR (0.52) CNR2NOTUMIDO1P2RX7CYP2D6
SCHEMBL19463367 0.73 IDO1 (0.41) CNR2NOTUMIDO1P2RX7GRM5
SCHEMBL2985784 0.69
SCHEMBL4028544 0.69 CYP2D6 (0.54) GRM5CYP2D6MAOAMAPK1ADRA1A

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
US-20150249217-A1 TRIAZINE-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-09-03 US disclosed
CN-101636455-B Heat-sensitive coating composition based on resorcinol-based triazine derivatives BASF SE 2013-11-27 CN disclosed
CN-102791659-A Material for electronic devices MERCK PATENT GMBH 2012-11-21 CN disclosed
CN-100497321-C Process for isolation of monophenolic-bisaryl triazines CYTEC TECH CORP (US) 2009-06-10 CN disclosed
CN-1547573-A Process for isolation of monophenolic-bisaryl triazines CYTEC 2004-11-17 CN 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-20150249217-A1 TRIAZINE-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME IKZF2, POU5F1, ETV6 CNR2 3274/4885NOTUM 2671/4885IDO1 1876/4885

“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.