SCHEMBL17034871

SCHEMBL17034871

c1cncc(-c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
CYP19A1 P11511 2/20 0.48
CYP17A1 P05093 1/20 0.48
CYP11B2 P19099 1/20 0.48
DHODH Q02127 2/20 0.47
CYP2A6 P11509 2/20 0.44
HPGD P15428 2/20 0.43
F2 P00734 1/20 0.43
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2D6 P10635 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL17034874 0.96 CYP19A1 (0.48) CYP11B1CYP19A1CYP17A1CYP11B2DHODH
SCHEMBL18201009 0.92 CYP1A2 (0.50) HPGDCYP1A2CYP3A4ALDH1A1KMT2A
SCHEMBL18201241 0.91 CYP1A2 (0.51) HPGDCYP1A2CYP3A4ALDH1A1KMT2A
SCHEMBL18200999 0.90 CYP19A1 (0.58) CYP11B1CYP19A1CYP17A1CYP11B2DHODH
SCHEMBL18201052 0.90 DHODH (0.47) CYP11B1CYP19A1CYP17A1CYP11B2DHODH
SCHEMBL17034881 0.90 CYP11B1 (0.49) CYP11B1CYP19A1CYP17A1CYP11B2DHODH
SCHEMBL18201000 0.89 ALDH1A1 (0.47) HPGDCYP1A2CYP3A4ALDH1A1KMT2A
SCHEMBL18201054 0.89 DHODH (0.46) CYP11B1CYP19A1CYP17A1CYP11B2DHODH
SCHEMBL18200601 0.89 NUDT1 (0.47) DHODHHPGDALDH1A1KMT2AMEN1
SCHEMBL18200600 0.89 NUDT1 (0.47) DHODHHPGDALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-20150243895-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243895-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 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-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 CYP11B1 781/4885CYP19A1 179/4885CYP17A1 892/4885

“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.