SCHEMBL10000554

SCHEMBL10000554

Cc1ccccc1-c1ncc2ccccc2c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
ADORA2A P29274 1/20 0.41
ABL1 P00519 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM5A P29375 1/20 0.37
GPR3 P46089 1/20 0.36
USP8 P40818 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
CYP1A2 P05177 2/20 0.35
LRRK2 Q5S007 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SQOR Q9Y6N5 2/20 0.35
CYP2A6 P11509 1/20 0.35
PDE10A Q9Y233 1/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL10000563 0.82 KDM4E (0.41) ABL1KDM4EALDH1A1GPR3CYP1A2
SCHEMBL10028044 0.81 ADORA2A (0.52) LMNAADORA2AKDM4EALDH1A1SQOR
SCHEMBL14407613 0.79 ADORA2A (0.46) ADORA2AKDM4EALDH1A1GPR3DCUN1D1
SCHEMBL1773062 0.77 KDM4E (0.46) ADORA2AABL1KDM4EALDH1A1GPR3
SCHEMBL10027987 0.76 SQOR (0.38) ADORA2AKDM4EALDH1A1CYP1A2SQOR
SCHEMBL10000589 0.72 MCL1 (0.48) LMNAKDM4EALDH1A1KDM5ACYP1A2
SCHEMBL10000555 0.72 KMT2A (0.45) ADORA2AKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL5482010 0.71 LMNA (0.56) LMNAADORA2AKDM4EALDH1A1USP8
SCHEMBL14311585 0.70 KDM4E (0.48) ADORA2AKDM4EALDH1A1GPR3CYP1A2
SCHEMBL1773061 0.70 KDM4E (0.46) ADORA2AKDM4EALDH1A1GPR3CYP1A2

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 LMNA 3816/4885ADORA2A 3503/4885ABL1 2109/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 LMNA 3816/4885ADORA2A 3503/4885ABL1 2109/4885

“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.