SCHEMBL10027754

SCHEMBL10027754

COc1c(-c2ncccc2C#N)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
SQOR Q9Y6N5 2/20 0.37
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LRRK2 Q5S007 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 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
SCHEMBL10028270 0.86 MAOA (0.41) PDE4BCYP3A4CNR2
SCHEMBL10000557 0.82 KDM4E (0.42) PDE4BMAPTKMT2AKDM4EMAPK1
SCHEMBL10028254 0.79 ALDH1A1 (0.45) MAPTKMT2AKDM4EMAPK1IMPDH2
SCHEMBL10028057 0.78 PDE4B (0.56) PDE4BMAPTKMT2AKDM4EMAPK1
SCHEMBL10027987 0.76 SQOR (0.38) MAPTKMT2AKDM4ESQORCYP3A4
SCHEMBL10027756 0.75 KDM4E (0.50) MAPTKMT2AKDM4EMAPK1ALDH1A1
SCHEMBL24476762 0.75 IMPDH2 (0.53) MAPTKDM4EMAPK1CA1CA2
SCHEMBL3293427 0.75 ALDH1A1 (0.47) PDE4BKDM4EIMPDH2IMPDH1ALDH1A1
SCHEMBL16082559 0.73 ALDH1A1 (0.54) MAPTKMT2AKDM4EMAPK1ALDH1A1
SCHEMBL25466283 0.72 NOS3 (0.45) MAPTKMT2AKDM4EMAPK1CYP3A4

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 PDE4B 4842/4885MAPT 2360/4885KMT2A 1392/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 PDE4B 4842/4885MAPT 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.