SCHEMBL17034859

SCHEMBL17034859

COc1cccc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.62
CYP1A2 P05177 7/20 0.53
CYP3A4 P08684 5/20 0.53
CYP2C9 P11712 4/20 0.53
CYP2B6 P20813 2/20 0.53
AHR P35869 2/20 0.53
NR1I3 Q14994 2/20 0.53
VDR P11473 1/20 0.53
CYP2D6 P10635 4/20 0.50
ALDH1A1 P00352 4/20 0.50
USP2 O75604 3/20 0.50
MAPK1 P28482 3/20 0.50
CYP2C19 P33261 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CLK4 Q9HAZ1 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX15 P16050 2/20 0.50
F2 P00734 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.48

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
SCHEMBL17034913 0.86 MAPT (0.46) ADORA2ACYP1A2AHRALDH1A1KMT2A
SCHEMBL18347009 0.86 KDM4E (0.50) ADORA2ACYP1A2CYP3A4CYP2C9CYP2B6
SCHEMBL17034867 0.85 LMNA (0.60) ADORA2ACYP1A2ALDH1A1MAPK1KMT2A
SCHEMBL18200636 0.83 MAPT (0.44) ADORA2AALDH1A1KMT2AHPGDMAPT
SCHEMBL18200645 0.82 MAPK8 (0.43) ADORA2AALDH1A1HPGDMAPTCYP1A1
SCHEMBL17034863 0.81 NUDT1 (0.50) ADORA2AALDH1A1KMT2AHPGDMAPT
SCHEMBL18200633 0.80 MAPK8 (0.42) ADORA2AALDH1A1HPGDMAPTCYP1A1
SCHEMBL17034878 0.80 MEN1 (0.46) ADORA2ACYP1A2CYP3A4CYP2C9CYP2B6
SCHEMBL17035108 0.80 BIRC5 (0.46) ADORA2ACYP1A2ALDH1A1KMT2AHPGD
SCHEMBL18200972 0.80 ESR1 (0.45) ADORA2AALDH1A1HPGDMAPTPDE10A

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-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 (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-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ADORA2A 4650/4885CYP1A2 1306/4885CYP3A4 968/4885

“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.