SCHEMBL17035133

SCHEMBL17035133

Clc1ccc2c(c1)nc(-c1ccccc1)c1ccc3ccccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
DHODH Q02127 2/20 0.49
KDM4E B2RXH2 5/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 4/20 0.46
MAT2A P31153 1/20 0.46
THRB P10828 1/20 0.45
PTGES O14684 1/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CASP1 P29466 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL17035135 0.87 KDM4E (0.45) ADORA1ESR1ESR2DHODHKDM4E
SCHEMBL17034863 0.86 NUDT1 (0.50) DHODHKDM4EGAALMNAL3MBTL1
SCHEMBL21933898 0.84 ADORA1 (0.49) ADORA1ESR1ESR2DHODHKDM4E
SCHEMBL18200601 0.83 NUDT1 (0.47) DHODHKDM4EGAALMNAL3MBTL1
SCHEMBL18200600 0.83 NUDT1 (0.47) DHODHKDM4EGAALMNAL3MBTL1
SCHEMBL20690705 0.83 ADORA1 (0.56) ADORA1ESR1ESR2DHODHKDM4E
SCHEMBL20240269 0.82 PRNP (0.49) L3MBTL1MAPTTHRBPTGESKMT2A
SCHEMBL17034913 0.81 MAPT (0.46) ESR1ESR2KDM4EGAALMNA
SCHEMBL17035030 0.81 MEN1 (0.49) ESR1ESR2KDM4EGAALMNA
SCHEMBL20274292 0.81 MAPT (0.39) ESR1ESR2KDM4EGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220173319-A1 CONDENSED CYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KP) 2022-06-02 US disclosed
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 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 (2 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-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ADORA1 4439/4885ESR1 175/4885ESR2 721/4885
US-20220173319-A1 CONDENSED CYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE CRY1, CRY2, CCNE2 ADORA1 3683/4885ESR1 88/4885ESR2 327/4885

“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.