SCHEMBL10018622

SCHEMBL10018622

CCC1(CC)c2ccccc2-c2cc3c(cc21)C(CC)(CC)c1cc(-c2ccccn2)ccc1-3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.53
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KMT2A Q03164 1/20 0.37
▸ METAP2 P50579 1/20 0.36
▸ WNT3A P56704 4/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ NPY5R Q15761 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL6241818 0.96 PDK2 (0.57) PDK2CYP1A2CYP2C19CYP2D6CYP19A1
SCHEMBL13858046 0.82 PDK2 (0.47) PDK2CYP1A2CYP2C19KMT2AKCNQ2
SCHEMBL12721366 0.81 CYP1A2 (0.47) PDK2CYP1A2CYP2C19CYP2D6CYP19A1
SCHEMBL2129264 0.81 PDK2 (0.44) PDK2
SCHEMBL13534619 0.81 PDK2 (0.44) PDK2CYP1A2CYP2C19CYP2D6CYP19A1
SCHEMBL18319519 0.80 PDK2 (0.42) PDK2CYP1A2CYP2C19CYP2D6CYP19A1
SCHEMBL13534589 0.79 PDK2 (0.43) PDK2CYP1A2CYP2C19CYP2D6CYP19A1
SCHEMBL10018624 0.77 PDK2 (0.42) PDK2KMT2A
SCHEMBL30772301 0.77 PDK2 (0.61) PDK2CYP1A2CYP2C19CYP2D6CYP19A1
SCHEMBL3392580 0.77 PDK2 (0.61) PDK2CYP1A2CYP2C19CYP2D6CYP19A1

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-20120104940-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-05-03 — — US disclosed
US-20120104940-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-05-03 — — US disclosed
WO-2010114243-A2 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) 2010-10-07 — — WO 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-20120104940-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME OCIAD2, OCIAD1, SLCO4C1 PDK2 2101/4885CYP1A2 1341/4885CYP2C19 1053/4885

“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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