SCHEMBL21392300

SCHEMBL21392300

Cc1ccccc1NC(C)(C)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.49
▸ PDK2 Q15119 1/20 0.49
▸ PDK3 Q15120 1/20 0.49
▸ PDK4 Q16654 1/20 0.49
▸ HTT P42858 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ CCR4 P51679 1/20 0.39
▸ POLB P06746 2/20 0.38

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
SCHEMBL2722654 0.84 HTT (0.48) PDK1PDK2PDK3PDK4HTT
SCHEMBL5163824 0.81 MAPT (0.50) PDK1PDK2PDK3PDK4HTT
SCHEMBL13979173 0.81 MAPT (0.50) PDK1PDK2PDK3PDK4HTT
SCHEMBL1275442 0.80 PDK1 (0.47) PDK1PDK2PDK3PDK4HTT
SCHEMBL15285454 0.77 PDK1 (0.49) PDK1PDK2PDK3PDK4HTT
SCHEMBL10353046 0.74 MAPT (0.43) PDK1PDK2PDK3PDK4HTT
SCHEMBL6716559 0.74 HTT (0.43) PDK1PDK2PDK3PDK4HTT
SCHEMBL19570403 0.74 MAPT (0.54) PDK1PDK2PDK3PDK4HTT
SCHEMBL11079881 0.71 HPGD (0.54) PDK1PDK2PDK3PDK4HTT
SCHEMBL17936482 0.71 MAPT (0.45) PDK1PDK2PDK3PDK4HTT

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-10886477-B2 Iridium complex and organic electroluminescence device using the same UDC IRELAND LIMITED (IE) 2021-01-05 — — US disclosed
US-20190296251-A1 IRIDIUM COMPLEX AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2019-09-26 — — 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-20190296251-A1 IRIDIUM COMPLEX AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IMPA1, LAGE3, OCIAD1 PDK1 174/4885PDK2 632/4885PDK3 778/4885
US-10886477-B2 Iridium complex and organic electroluminescence device using the same IMPA1, LAGE3, OCIAD1 PDK1 174/4885PDK2 632/4885PDK3 778/4885

“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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