SCHEMBL17636627

SCHEMBL17636627

c1ccc(-c2c(-c3cccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c34)nnn2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.43
TDO2 P48775 5/20 0.43
DHODH Q02127 8/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DUSP3 P51452 1/20 0.38
IL1R1 P14778 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL17636682 0.91 IDO1 (0.41) IDO1TDO2DHODHL3MBTL1KDM4E
SCHEMBL17636628 0.90 IDO1 (0.43) IDO1TDO2DHODHL3MBTL1KDM4E
SCHEMBL17636816 0.87 IDO1 (0.49) IDO1TDO2DHODHMAPT
SCHEMBL17636639 0.87 IDO1 (0.47) IDO1TDO2DHODHL3MBTL1DUSP3
SCHEMBL17636635 0.86 NPC1 (0.41) IDO1TDO2DHODHL3MBTL1KDM4E
SCHEMBL15762199 0.86 NPC1 (0.41) IDO1TDO2DHODHL3MBTL1KDM4E
SCHEMBL17636668 0.85 L3MBTL1 (0.41) IDO1TDO2DHODHL3MBTL1KDM4E
SCHEMBL17636649 0.85 L3MBTL1 (0.41) IDO1TDO2DHODHL3MBTL1KDM4E
SCHEMBL17636681 0.84 IDO1 (0.42) IDO1TDO2DHODHL3MBTL1KDM4E
SCHEMBL15762213 0.83 NPC1 (0.41) IDO1TDO2DHODHL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9960365-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-01 US disclosed
US-9960365-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-01 US disclosed
US-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-31 US disclosed
US-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-31 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-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 IDO1 3268/4885TDO2 3216/4885DHODH 3557/4885

“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.