SCHEMBL17035150

SCHEMBL17035150

O=P(c1ccccc1)(c1ccccc1)c1cc2c(-c3ccccc3)nc3ccccc3c2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.40
ADORA2A P29274 1/20 0.40
PDE10A Q9Y233 3/20 0.38
DHODH Q02127 3/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
TOP1 P11387 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL20249897 0.97 NUDT1 (0.40) NUDT1ADORA2APDE10ADHODHLMNA
SCHEMBL20967904 0.91 TOP1 (0.48) ADORA2ADHODHTOP1MAPT
SCHEMBL18200499 0.89 DHODH (0.37) ADORA2ADHODHLMNAKDM4ETOP1
SCHEMBL20249899 0.85 NUDT1 (0.39) NUDT1ADORA2APDE10ADHODHLMNA
SCHEMBL17034974 0.84 DHODH (0.41) NUDT1ADORA2APDE10ADHODHLMNA
SCHEMBL17034887 0.84 DHODH (0.41) NUDT1ADORA2APDE10ADHODHLMNA
SCHEMBL19009761 0.84 TOP1 (0.38) NUDT1ADORA2AKDM4ETSHRTOP1
SCHEMBL20256804 0.84 ADORA2A (0.40) ADORA2ALMNAKDM4ETSHRMAPT
SCHEMBL17034970 0.83 DHODH (0.37) NUDT1ADORA2APDE10ADHODHLMNA
SCHEMBL19009814 0.82 TOP1 (0.37) NUDT1ADORA2APDE10ADHODHLMNA

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-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-20150243895-A1 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
US-20150243895-A1 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 NUDT1 1547/4885ADORA2A 4650/4885PDE10A 2078/4885

“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.