SCHEMBL13351783

SCHEMBL13351783

N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(-c3ccc4ccccc4c3)c3cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)ccc3c(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ PDE9A O76083 1/20 0.38
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ PGR P06401 2/20 0.34
▸ ENPP3 O14638 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ TDP2 O95551 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ CDY1; CDY1B Q9Y6F8 1/20 0.32

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
SCHEMBL16560674 0.90 CYP17A1 (0.38) PDPK1CA1CA2PDE9ACYP11B1
SCHEMBL16557928 0.90 CYP17A1 (0.38) PDPK1CA1CA2PDE9ACYP11B1
SCHEMBL16548680 0.90 CA1 (0.40) PDPK1CA1CA2PDE9ACYP11B1
SCHEMBL16557890 0.89 CA1 (0.38) PDPK1CA1CA2PDE9ACYP11B1
SCHEMBL16557914 0.89 CA1 (0.38) PDPK1CA1CA2PDE9ACYP11B1
SCHEMBL16557894 0.88 CA1 (0.37) PDPK1CA1CA2PDE9ACYP11B1
SCHEMBL16557961 0.88 CYP17A1 (0.39) PDPK1CA1CA2PDE9ACYP11B1
SCHEMBL16557932 0.88 CYP17A1 (0.39) PDPK1CA1CA2PDE9ACYP11B1
SCHEMBL16557925 0.88 CYP17A1 (0.39) PDPK1CA1CA2PDE9ACYP11B1
SCHEMBL13351795 0.87 DPP4 (0.40) ALDH1A1DPP4G6PDMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299703-B2 Blue light emitting compound and organic light emitting diode device comprising the same LG DISPLAY CO., LTD. (KR) 2012-10-30 — — US disclosed
US-20100140603-A1 BLUE LIGHT EMITTING COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE COMPRISING THE SAME LG. DISPLAY CO. LTD. (KR) 2010-06-10 — — 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 (1 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-20100140603-A1 BLUE LIGHT EMITTING COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE COMPRISING THE SAME CRY1, CRY2, CYBA PDPK1 4142/4885CA1 3802/4885CA2 3554/4885

“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.

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