SCHEMBL21143422

SCHEMBL21143422

CN1C(=O)c2ccccc2N(C)c2nc(N(C)c3ccc(S(N)(=O)=O)cc3)ncc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 6/20 0.64
▸ DCLK1 O15075 6/20 0.64
▸ LRRK2 Q5S007 6/20 0.64
▸ PIK3CD O00329 5/20 0.64
▸ PIK3C2G O75747 5/20 0.64
▸ AURKA O14965 5/20 0.64
▸ AURKB Q96GD4 5/20 0.64
▸ MAPK7 Q13164 5/20 0.64
▸ BRD4 O60885 2/20 0.56
▸ BRDT Q58F21 1/20 0.56
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA12 O43570 2/20 0.46
▸ STK4 Q13043 2/20 0.43
▸ PIP5K1C O60331 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ PIK3CA P42336 1/20 0.43

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
SCHEMBL17854805 0.87 MAPK7 (0.53) PIK3CGDCLK1LRRK2PIK3CDPIK3C2G
SCHEMBL10098763 0.78 PIK3CG (1.00) PIK3CGDCLK1LRRK2PIK3CDPIK3C2G
SCHEMBL20682528 0.74 DCLK1 (0.43) PIK3CGDCLK1LRRK2PIK3CDPIK3C2G
SCHEMBL10098754 0.73 PIK3CG (1.00) PIK3CGDCLK1LRRK2PIK3CDPIK3C2G
SCHEMBL10098766 0.72 DCLK1 (0.58) PIK3CGDCLK1LRRK2PIK3CDPIK3C2G
SCHEMBL17465864 0.72 PIK3CG (1.00) PIK3CGDCLK1LRRK2PIK3CDPIK3C2G
SCHEMBL16973746 0.72 BRD4 (1.00) PIK3CGDCLK1LRRK2PIK3CDPIK3C2G
SCHEMBL17721092 0.71 MAPK7 (0.57) PIK3CGDCLK1LRRK2PIK3CDPIK3C2G
SCHEMBL10098762 0.70 LRRK2 (0.66) PIK3CGDCLK1LRRK2PIK3CDPIK3C2G
SCHEMBL10098691 0.70 MAPK7 (0.56) PIK3CGDCLK1LRRK2PIK3CDPIK3C2G

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-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 — — 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-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 PIK3CG 3736/4885DCLK1 1875/4885LRRK2 1955/4885

“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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