SCHEMBL10000563

SCHEMBL10000563

Cc1c(-c2ncc3ccccc3c2C#N)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 3/20 0.39
CYP2A6 P11509 2/20 0.39
ALOX15 P16050 5/20 0.37
HSD17B10 Q99714 3/20 0.37
PIM1 P11309 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
GPR3 P46089 1/20 0.34
POLB P06746 2/20 0.34
HCRTR1 O43613 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL10000554 0.82 LMNA (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2A6
SCHEMBL10027987 0.82 SQOR (0.38) KDM4EALDH1A1CYP1A2MAPTMEN1
SCHEMBL10028044 0.76 ADORA2A (0.52) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10000575 0.75 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2MAPTKMT2A
SCHEMBL1773062 0.75 KDM4E (0.46) KDM4EALDH1A1CYP1A2MAPTMEN1
SCHEMBL10000557 0.74 KDM4E (0.42) KDM4EALDH1A1CYP1A2MAPTMEN1
SCHEMBL10000567 0.73 PDE10A (0.43) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL14407623 0.71 CYP1A2 (0.48) KDM4EALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL10000569 0.70 PDE4B (0.50) KDM4EALDH1A1CYP1A2MAPTMEN1
SCHEMBL5251870 0.69 CYP1A2 (0.54) KDM4EALDH1A1CYP1A2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 US disclosed
US-9096529-B2 Metal complex compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-04 US disclosed
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 KDM4E 3600/4885ALDH1A1 122/4885CYP1A2 471/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 KDM4E 3600/4885ALDH1A1 122/4885CYP1A2 471/4885

“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.