SCHEMBL13643298

SCHEMBL13643298

Clc1cc(-c2ccccc2)nc2c1cc(-c1ccccc1)c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.49
ALDH1A1 P00352 6/20 0.47
HPGD P15428 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 2/20 0.47
ACACA Q13085 1/20 0.44
PPARA Q07869 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
KDM4E B2RXH2 5/20 0.42
MAPT P10636 4/20 0.42
MPI P34949 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ELANE P08246 1/20 0.42
TOP1 P11387 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL9974638 0.86 ADORA1 (0.58) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL13643297 0.85 ALDH1A1 (0.43) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9974607 0.82 TOP1 (0.49) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL13643295 0.81 CYP1A2 (0.44) ALDH1A1HPGDL3MBTL1SMN1; SMN2KDM4E
SCHEMBL13643124 0.80 CYP19A1 (0.49) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL13642878 0.80 CYP19A1 (0.49) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL13084019 0.80 CYP19A1 (0.49) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL13643190 0.80 MEN1 (0.54) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL22686771 0.80 L3MBTL1 (0.61) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL13642877 0.80 MEN1 (0.54) ADORA1ALDH1A1HPGDMEN1KMT2A

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
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 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-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 ADORA1 2073/4885ALDH1A1 15/4885HPGD 2437/4885

“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.