SCHEMBL20009870

SCHEMBL20009870

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-c6ccc(-c7cccnc7)cn6)cc5c5ccccc5c4c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.47
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 3/20 0.45
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
DHODH Q02127 1/20 0.43
CYP19A1 P11511 2/20 0.43
CYP17A1 P05093 1/20 0.43
HPGDS O60760 2/20 0.43
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
CYP2C19 P33261 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
SCHEMBL20010043 0.99 CYP2A6 (0.46) CYP2A6CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL20010185 0.96 CYP2A6 (0.46) CYP2A6CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL20010044 0.95 CYP19A1 (0.48) CYP2A6CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL17426584 0.90 CYP2A6 (0.50) CYP2A6CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL19172891 0.90 CYP2A6 (0.50) CYP2A6CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL19009628 0.90 CYP2A6 (0.50) CYP2A6CYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL20010070 0.90 CYP11B1 (0.50) CYP2A6CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL20010240 0.90 MAPK10 (0.43) CYP11B1CYP11B2CYP3A4CYP2C9MEN1
SCHEMBL20010203 0.90 MAPK10 (0.43) CYP11B1CYP11B2CYP3A4CYP2C9MEN1
SCHEMBL20010133 0.89 CYP2A6 (0.51) CYP2A6CYP11B1CYP11B2CYP3A4CYP1A2

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-20210320261-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-10-14 US disclosed
US-11081648-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2021-08-03 US disclosed
US-10468605-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2019-11-05 US disclosed
US-20180090686-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-03-29 US disclosed
US-20180090686-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-03-29 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 (4 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-20180090686-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 CYP2A6 547/4885CYP11B1 1561/4885CYP11B2 1249/4885
US-20210320261-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 CYP2A6 560/4885CYP11B1 1434/4885CYP11B2 1112/4885
US-10468605-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 CYP2A6 547/4885CYP11B1 1561/4885CYP11B2 1249/4885
US-11081648-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 CYP2A6 547/4885CYP11B1 1561/4885CYP11B2 1249/4885

“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.