SCHEMBL17532736

SCHEMBL17532736

Cc1ncc2ccc3ccccc3c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GPR3 P46089 1/20 0.41
MAOA P21397 1/20 0.40
HPRT1 P00492 1/20 0.39
ATM Q13315 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL28416889 0.76 NPC1 (0.46) CYP2A6L3MBTL1MAPTTSHRALDH1A1
SCHEMBL22349597 0.76 ALDH1A1 (0.42) CYP2A6L3MBTL1MAPTTSHRALDH1A1
SCHEMBL30783275 0.76 ALDH1A1 (0.42) CYP2A6L3MBTL1MAPTTSHRALDH1A1
SCHEMBL18017046 0.76 MAPT (0.44) CYP2A6L3MBTL1MAPTTSHRALDH1A1
SCHEMBL22136018 0.76 CLK1 (0.62) CYP2A6TSHRALDH1A1TDP1HSD17B10
SCHEMBL19318052 0.76 ALDH1A1 (0.42) CYP2A6L3MBTL1MAPTTSHRALDH1A1
SCHEMBL24604813 0.76 CYP2A6 (0.38) CYP2A6L3MBTL1MAPTTSHRALDH1A1
SCHEMBL24768242 0.76 CYP2A6 (0.38) CYP2A6L3MBTL1MAPTTSHRALDH1A1
SCHEMBL8404376 0.75 CYP2A6 (0.39) CYP2A6ALDH1A1CYP1A2KDM4EATM
SCHEMBL15747047 0.75 GPR3 (0.39) CYP2A6L3MBTL1MAPTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220407027-A1 Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2022-12-22 US disclosed
US-20220216419-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-07-07 US disclosed
US-20200388779-A1 Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2020-12-10 US disclosed
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 CYP2A6 3145/4885L3MBTL1 997/4885MAPT 4371/4885

“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.