SCHEMBL19009717

SCHEMBL19009717

c1cncc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4c4cnccc34)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CYP11B1 P15538 3/20 0.42
CYP19A1 P11511 4/20 0.41
CYP11B2 P19099 3/20 0.41
CYP17A1 P05093 1/20 0.41
CYP2A6 P11509 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
TDO2 P48775 1/20 0.39
DHODH Q02127 3/20 0.39
IDO1 P14902 1/20 0.38
LRRK2 Q5S007 1/20 0.38
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
KIF11 P52732 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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) CSNK2A2CSNK2BCYP11B1CYP19A1CYP11B2
SCHEMBL19009738 0.96 CYP11B1 (0.43) CSNK2A2CSNK2BCYP11B1CYP19A1CYP11B2
SCHEMBL19009699 0.94 CYP11B1 (0.46) CSNK2A2CSNK2BCYP11B1CYP19A1CYP11B2
SCHEMBL19009746 0.92 CYP11B1 (0.43) CSNK2A2CSNK2BCYP11B1CYP19A1CYP11B2
SCHEMBL19009692 0.90 CYP11B1 (0.47) CYP11B1CYP19A1CYP11B2CYP17A1CYP2A6
SCHEMBL19009828 0.86 CSNK2A2 (0.47) CSNK2A2CSNK2BALDH1A1CYP3A4CYP1A2
SCHEMBL19009715 0.86 CYP11B1 (0.42) CYP11B1CYP19A1CYP11B2CYP17A1CYP2A6
SCHEMBL19009695 0.84 CYP11B1 (0.46) CYP11B1CYP19A1CYP11B2CYP17A1CYP2A6
SCHEMBL19009730 0.83 L3MBTL1 (0.45) CYP11B1CYP19A1CYP11B2CYP17A1CYP2A6
SCHEMBL19009747 0.82 CSNK2A2 (0.45) CSNK2A2CSNK2BALDH1A1CYP3A4CYP1A2

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 CSNK2A2 1398/4885CSNK2B 1529/4885CYP11B1 341/4885

“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.