SCHEMBL17636660

SCHEMBL17636660

c1cncc(-c2nnn(-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4c3)c2-c2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
IDO1 P14902 3/20 0.39
TDO2 P48775 2/20 0.39
CYP11B2 P19099 2/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM1 Q13255 1/20 0.36
LRRK2 Q5S007 1/20 0.36
GAA P10253 1/20 0.36
RAD51 Q06609 1/20 0.36
LCK P06239 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
METAP2 P50579 1/20 0.34
MAPK14 Q16539 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL17636657 0.91 GRM1 (0.45) DHODHIDO1TDO2CYP11B2MAPT
SCHEMBL17636659 0.91 IDO1 (0.43) DHODHIDO1TDO2CYP11B2MAPT
SCHEMBL17636647 0.87 L3MBTL1 (0.41) DHODHIDO1TDO2MAPTALDH1A1
SCHEMBL17636671 0.86 GRM1 (0.45) DHODHIDO1TDO2CYP11B2MAPT
SCHEMBL17636672 0.86 IDO1 (0.43) DHODHIDO1TDO2CYP11B2MAPT
SCHEMBL17636646 0.85 MAPT (0.39) DHODHIDO1TDO2CYP11B2MAPT
SCHEMBL17636690 0.85 MAPT (0.37) DHODHIDO1TDO2CYP11B2MAPT
SCHEMBL17636639 0.83 IDO1 (0.47) DHODHIDO1TDO2CYP11B2MAPT
SCHEMBL17636691 0.83 IDO1 (0.47) DHODHIDO1TDO2CYP11B2MAPT
SCHEMBL17636658 0.83 IDO1 (0.47) DHODHIDO1TDO2CYP11B2MAPT

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 DHODH 3557/4885IDO1 3268/4885TDO2 3216/4885

“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.