SCHEMBL10000604

SCHEMBL10000604

N#Cc1c(Cl)ncc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 8/20 0.42
CCR1 P32246 2/20 0.42
CCR8 P51685 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MMP2 P08253 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
MMP8 P22894 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL10027749 0.81 KCNMA1 (0.43) KCNMA1CCR1CCR8TDP1MMP2
SCHEMBL10000547 0.76 ALDH1A1 (0.46) TDP1KDM4ELMNACYP3A4MAPT
SCHEMBL18952874 0.76 KMT2A (0.42) TDP1TSHRKDM4ETP53MAPT
SCHEMBL30042251 0.74 CCR1 (0.45) CCR1CCR8TDP1MMP2TSHR
SCHEMBL28890484 0.72 KCNMA1 (0.41) KCNMA1CCR1CCR8TDP1MMP2
SCHEMBL29958311 0.72 KCNMA1 (0.41) KCNMA1CCR1CCR8TDP1MMP2
SCHEMBL3953273 0.71 LMNA (0.58) KCNMA1CCR1CCR8TDP1MMP2
SCHEMBL3953265 0.71 LMNA (0.52) KCNMA1CCR1CCR8TDP1MMP2
SCHEMBL2671610 0.71 MMP2 (0.53) KCNMA1CCR1CCR8TDP1MMP2
SCHEMBL21645161 0.71 LMNA (0.52) KCNMA1CCR1CCR8TDP1MMP2

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 5 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-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-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 KCNMA1 363/4885CCR1 1451/4885CCR8 3158/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 KCNMA1 363/4885CCR1 1451/4885CCR8 3158/4885

“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.