SCHEMBL2950262

SCHEMBL2950262

Clc1cc2ccc3ncccc3c2nc1Cl.[Pd]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
CCR1 P32246 2/20 0.51
CCR8 P51685 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 3/20 0.47
MAPT P10636 6/20 0.47
KDM4E B2RXH2 5/20 0.47
NR4A2 P43354 2/20 0.42
HSP90AA1 P07900 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 3/20 0.39
ALOX15 P16050 3/20 0.39
MMP14 P50281 3/20 0.39
TP53 P04637 2/20 0.39
ALOX12 P18054 2/20 0.39
SLC6A2 P23975 2/20 0.39
OPRK1 P41145 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL462223 0.98 LMNA (0.56) LMNACCR1CCR8L3MBTL1ALDH1A1
SCHEMBL1615610 0.97 LMNA (0.54) LMNACCR1CCR8L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL2528246 0.97 LMNA (0.54) LMNACCR1CCR8L3MBTL1ALDH1A1
SCHEMBL3298981 0.94 LMNA (0.51) LMNACCR1CCR8L3MBTL1ALDH1A1
SCHEMBL28884057 0.84 LMNA (0.52) LMNACCR1CCR8L3MBTL1ALDH1A1
1-Naphthoquinoline SCHEMBL4219087 0.78 ALDH1A1 (0.64) LMNACCR1CCR8L3MBTL1ALDH1A1
SCHEMBL29555797 0.78 CCR1 (0.61) LMNACCR1CCR8L3MBTL1ALDH1A1
SCHEMBL16467196 0.78 CCR1 (0.61) LMNACCR1CCR8L3MBTL1ALDH1A1
SCHEMBL15673966 0.77 ALDH1A1 (0.56) LMNAL3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL10923942 0.77 LMNA (0.53) LMNACCR1CCR8L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4073811-A Process for the preparation of aldehydes HOFFMANN-LA ROCHE INC. (US) 1978-02-14 US claimed
EP-2746271-B1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules TOSOH CORP (JP) 2016-08-17 EP disclosed
EP-2746271-A1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules Tosoh Corporation (JP) 2014-06-25 EP disclosed
EP-2141158-B1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT TOSOH CORP (JP) 2014-05-07 EP disclosed
US-8268997-B2 Phenyl-substituted 1,3,5-triazine compound, process for producing the same, and organic electroluminescent device containing the same as component TOSOH CORPORATION (JP) 2012-09-18 US disclosed
US-20100249406-A1 PHENYL-SUBSTITUTED 1,3.5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT TOSOH CORPORATION (JP) 2010-09-30 US disclosed
EP-2141158-A1 PHENYL-SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT Tosoh Corporation (JP) 2010-01-06 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-20100249406-A1 PHENYL-SUBSTITUTED 1,3.5-TRIAZINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME AS COMPONENT H1-5, H1-4, H1-2 LMNA 3818/4885CCR1 2985/4885CCR8 4529/4885

“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.