SCHEMBL17636690

SCHEMBL17636690

c1cncc(-c2nnn(-c3cccc4c3c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2-c2cccnc2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
CYP11B2 P19099 2/20 0.37
DHODH Q02127 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 1/20 0.35
GRM1 Q13255 3/20 0.35
LRRK2 Q5S007 1/20 0.35
RAD51 Q06609 1/20 0.34
LCK P06239 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA4 P43681 1/20 0.33
GAA P10253 1/20 0.33
IDH1 O75874 1/20 0.33
GRM5 P41594 1/20 0.32

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
SCHEMBL17636646 0.90 MAPT (0.39) MAPTCYP11B2DHODHALDH1A1L3MBTL1
SCHEMBL17636687 0.87 L3MBTL1 (0.39) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL17636691 0.86 IDO1 (0.47) MAPTCYP11B2DHODHALDH1A1L3MBTL1
SCHEMBL17636660 0.85 DHODH (0.43) MAPTCYP11B2DHODHALDH1A1L3MBTL1
SCHEMBL17636694 0.85 IDO1 (0.47) MAPTCYP11B2DHODHALDH1A1L3MBTL1
SCHEMBL17636657 0.82 GRM1 (0.45) MAPTCYP11B2DHODHALDH1A1L3MBTL1
SCHEMBL17636672 0.82 IDO1 (0.43) MAPTCYP11B2DHODHALDH1A1L3MBTL1
SCHEMBL17636659 0.82 IDO1 (0.43) MAPTCYP11B2DHODHALDH1A1L3MBTL1
SCHEMBL17636671 0.82 GRM1 (0.45) MAPTCYP11B2DHODHALDH1A1L3MBTL1
SCHEMBL17636695 0.81 TDO2 (0.36) MAPTALDH1A1L3MBTL1IDO1TDO2

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 MAPT 1845/4885CYP11B2 2120/4885DHODH 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.