SCHEMBL19009746

SCHEMBL19009746

c1cncc(-c2cc(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5c5ccncc45)cc3)cc(-c3cccnc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.42
CYP19A1 P11511 3/20 0.42
CYP17A1 P05093 1/20 0.42
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
DHODH Q02127 3/20 0.40
CYP2A6 P11509 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDO2 P48775 1/20 0.38
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL19009877 0.96 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1CYP17A1CSNK2A2
SCHEMBL19009738 0.96 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1CYP17A1CSNK2A2
SCHEMBL19009692 0.93 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL19009717 0.92 CSNK2A2 (0.44) CYP11B1CYP11B2CYP19A1CYP17A1CSNK2A2
SCHEMBL19009699 0.89 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1CYP17A1CSNK2A2
SCHEMBL19009730 0.86 L3MBTL1 (0.45) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL19009729 0.84 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL19009702 0.84 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL19009747 0.83 CSNK2A2 (0.45) CSNK2A2CSNK2BDHODHALDH1A1CYP1A2
SCHEMBL17915329 0.82 MKNK1 (0.41) CSNK2A2CSNK2BDHODHALDH1A1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY 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 (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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 CYP11B1 341/4885CYP11B2 467/4885CYP19A1 65/4885

“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.