SCHEMBL10000613

SCHEMBL10000613

Cc1cc2ccccc2cc1-c1nccnc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
ABL1 P00519 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
GRK5 P34947 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
CDK8 P49336 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PRKX P51817 1/20 0.36
NEK2 P51955 1/20 0.36
LIMK1 P53667 1/20 0.36
MAP2K1 Q02750 1/20 0.36
PRKCQ Q04759 1/20 0.36
MAP4K2 Q12851 1/20 0.36
DYRK1A Q13627 1/20 0.36
IKBKE Q14164 1/20 0.36
NTRK3 Q16288 1/20 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
SCHEMBL10028261 0.81 MEN1 (0.43) PDGFRBPDGFRAUSP8USP7CYP11B1
SCHEMBL17263277 0.78 CYP2A6 (0.41) CCR1CCR8CYP11B1CYP11B2CYP1A2
SCHEMBL17263265 0.73 CCR1 (0.37) CCR1CCR8CYP11B1CYP11B2CYP1A2
SCHEMBL10000603 0.72 CCR1 (0.43) ABL1CCR1CCR8CYP1A2SQOR
SCHEMBL10000615 0.71 MYC (0.38) CCR1CCR8SMN1; SMN2LMNAKDM4E
SCHEMBL2057113 0.69 CTSK (0.39) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL16062611 0.69 CYP2A6 (0.48) CCR1CCR8CYP11B1CYP11B2CYP1A2
SCHEMBL10427642 0.69 ERBB2 (0.53) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL2056791 0.68 LRRK2 (0.44) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL13863592 0.68 CYP3A4 (0.49) CCR1CCR8CYP11B1CYP11B2CYP1A2

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 CHEK1 3308/4885ABL1 2109/4885PDGFRB 4692/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 CHEK1 3308/4885ABL1 2109/4885PDGFRB 4692/4885

“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.