SCHEMBL12103643

SCHEMBL12103643

c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3ccc(-n4c(-c5cccnc5)ccc4-c4cccnc4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.50
GLA P06280 1/20 0.48
CYP17A1 P05093 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
OXTR P30559 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPBWR1 P48145 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MCHR1 Q99705 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AOC3 Q16853 2/20 0.45
KCNH2 Q12809 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.43

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
SCHEMBL10035330 0.91 AVPR1A (0.56) AVPR1AGLACYP17A1CYP3A4CYP19A1
SCHEMBL10035319 0.91 AVPR1A (0.56) AVPR1AGLACYP17A1CYP3A4CYP19A1
SCHEMBL398821 0.91 AVPR1A (0.56) AVPR1AGLACYP17A1CYP3A4CYP19A1
SCHEMBL12103642 0.89 AOC3 (0.50) CYP3A4CYP19A1ALDH1A1MAPTL3MBTL1
SCHEMBL17223083 0.88 CYP2A6 (0.54) AVPR1ACYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL10035317 0.85 AVPR1A (0.54) AVPR1AGLACYP17A1CYP3A4CYP19A1
SCHEMBL10035360 0.85 AVPR1A (0.54) AVPR1AGLACYP17A1CYP3A4CYP19A1
SCHEMBL12103615 0.84 AOC3 (0.49) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL10035331 0.82 KDM4E (0.55) AVPR1ACYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL17231888 0.82 CYP11B2 (0.52) AVPR1ACYP17A1CYP3A4CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110266527-A1 PYRROLE COMPOUND AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-11-03 US disclosed
US-20110266527-A1 PYRROLE COMPOUND AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-11-03 US disclosed
WO-2010027129-A1 PYRROLE COMPOUNDS AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES INC. (KR) 2010-03-11 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-20110266527-A1 PYRROLE COMPOUND AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME PPOX, PYCR1, ALDH18A1 AVPR1A 798/4885GLA 3461/4885CYP17A1 733/4885

“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.