SCHEMBL19009230

SCHEMBL19009230

Cc1cccc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.58
CYP2A6 P11509 5/20 0.58
CYP3A4 P08684 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
MKNK1 Q9BUB5 2/20 0.56
MKNK2 Q9HBH9 2/20 0.56
MEN1 O00255 1/20 0.56
PSIP1 O75475 1/20 0.56
AXL P30530 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA3 P34903 1/20 0.56
EPHX2 P34913 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
KDR P35968 2/20 0.50
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 2/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50

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
SCHEMBL12373158 1.00 NPY5R (0.58) NPY5RCYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL19309598 0.98 NPY5R (0.56) NPY5RCYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL13045 0.96 CYP2A6 (0.62) NPY5RCYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL22693745 0.94 CYP2A6 (0.60) NPY5RCYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL18960598 0.93 NPY5R (0.52) NPY5RCYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL21982139 0.92 NPY5R (0.58) NPY5RCYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL13624039 0.91 CYP2A6 (0.56) NPY5RCYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL12070458 0.90 CYP2A6 (0.65) NPY5RCYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL10262832 0.90 CYP2A6 (0.65) NPY5RCYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL12373157 0.89 CYP2A6 (0.54) NPY5RCYP2A6CYP3A4ALDH1A1CYP1A2

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-10597403-B2 Condensed cyclic compound, composition including the condensed cyclic compound, organic light-emitting device including the condensed cyclic compound, and method of manufacturing the organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-03-24 US disclosed
US-20170174705-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-22 US disclosed
US-20170174705-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-22 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 (2 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-20170174705-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE CRY1, C9, CRY2 NPY5R 4127/4885CYP2A6 1905/4885CYP3A4 1035/4885
US-10597403-B2 Condensed cyclic compound, composition including the condensed cyclic compound, organic light-emitting device including the condensed cyclic compound, and method of manufacturing the organic light-emitting device CRY1, C9, CRY2 NPY5R 4127/4885CYP2A6 1905/4885CYP3A4 1035/4885

“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.