SCHEMBL10000557

SCHEMBL10000557

Cc1c(-c2ncccc2C#N)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2A6 P11509 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
ADORA2A P29274 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CNR2 P34972 1/20 0.38
PDE4B Q07343 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
CCR1 P32246 2/20 0.36
CCR8 P51685 2/20 0.36
XDH P47989 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL10000596 0.86 NCOA3 (0.43) KDM4EMAPTKMT2AMAPK1CYP2A6
SCHEMBL10027754 0.82 PDE4B (0.43) KDM4EMAPTKMT2AMAPK1CA1
SCHEMBL10000575 0.78 ALDH1A1 (0.48) KDM4EMAPTKMT2AMAPK1CYP3A4
SCHEMBL10000569 0.76 PDE4B (0.50) KDM4EMAPTKMT2ACA1CA2
SCHEMBL10000551 0.75 TSHR (0.52) CYP2A6TSHRADORA2ALRRK2CNR2
SCHEMBL20407126 0.75 ESR2 (0.51) KDM4EMAPTKMT2AMAPK1CA1
SCHEMBL10000563 0.74 KDM4E (0.41) KDM4EMAPTKMT2AMAPK1CYP3A4
SCHEMBL10000561 0.73 KDM4E (0.54) KDM4EMAPTCYP3A4TSHRALDH1A1
SCHEMBL5950664 0.72 TSHR (0.54) KDM4EMAPTKMT2AMAPK1CA1
SCHEMBL31267979 0.72 CNR2 (0.49) KDM4EMAPTKMT2ACYP3A4TSHR

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 3600/4885MAPT 2360/4885KMT2A 1392/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 KDM4E 3600/4885MAPT 2360/4885KMT2A 1392/4885

“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.