SCHEMBL10216682

SCHEMBL10216682

[C-]#[N+]c1c(-c2ccccc2)nc(-c2ccc(C)cc2)c([N+]#[C-])c1-c1ccc(-c2c(C#N)c(-c3ccccc3)nc(-c3ccc(C)cc3)c2C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.56
ADORA2A P29274 6/20 0.56
ADORA2B P29275 1/20 0.53
GRM5 P41594 5/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL10216710 0.90 ADORA1 (0.53) ADORA1ADORA2AADORA2BGRM5CYP1A2
SCHEMBL396360 0.88 ADORA1 (0.69) ADORA1ADORA2AADORA2BGRM5CYP1A2
SCHEMBL10216687 0.86 GRM5 (0.46) ADORA1ADORA2AADORA2BGRM5CYP1A2
SCHEMBL10216659 0.86 GRM5 (0.45) ADORA1ADORA2AADORA2BGRM5CYP1A2
SCHEMBL10216663 0.82 GRM5 (0.43) ADORA1ADORA2AADORA2BGRM5CYP1A2
SCHEMBL10216643 0.80 GRM5 (0.43) ADORA1ADORA2AADORA2BGRM5KDM4E
SCHEMBL398975 0.80 ADORA1 (0.62) ADORA1ADORA2AADORA2BGRM5CYP1A2
SCHEMBL395677 0.79 ADORA1 (0.66) ADORA1ADORA2AADORA2BGRM5CYP1A2
SCHEMBL10216702 0.79 GRM5 (0.42) ADORA1ADORA2AADORA2BGRM5KDM4E
SCHEMBL10216672 0.78 ADORA1 (0.59) ADORA1ADORA2AADORA2BCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 US disclosed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 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-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND SLCO4C1, SLCO1B1, SLCO2B1 ADORA1 3214/4885ADORA2A 2414/4885ADORA2B 2121/4885

“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.