SCHEMBL22424775

SCHEMBL22424775

IC1(I)c2ccccc2-c2ncccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ PTPRC P08575 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ PTPN13 Q12923 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ TDP2 O95551 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ PLCG1 P19174 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ TDP1 Q9NUW8 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
SCHEMBL22424774 0.85 PDK2 (0.40) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL22424793 0.84 PDK2 (0.46) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL22424795 0.82 PDK2 (0.41) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL22414015 0.82 PDK2 (0.38) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL22424773 0.78 PDK2 (0.40) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL30322608 0.78 PDK2 (0.56) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL11990868 0.78 PDK2 (0.56) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL20465581 0.76 PDK2 (0.54) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL68937 0.76 PDK2 (0.57) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL20465582 0.76 PDK2 (0.57) PDK2KMT2ACYP1A2CYP2C19PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200295279-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-17 — — 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-20200295279-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE ORC3, ZC3HAV1L, ICMT PDK2 2477/4885KMT2A 480/4885CYP1A2 946/4885

“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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