SCHEMBL13825905

SCHEMBL13825905

CN(C)c1cccc(-c2n[nH]c3ncnc(N)c23)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.45
▸ PIK3CD O00329 4/20 0.42
▸ PIK3CA P42336 4/20 0.42
▸ PIK3CB P42338 4/20 0.42
▸ PIK3CG P48736 4/20 0.42
▸ PRKDC P78527 4/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ ADK P55263 4/20 0.42
▸ FYN P06241 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL20793716 0.83 ADK (0.51) ADK
SCHEMBL30386858 0.82 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387156 0.82 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11405 0.80 PIK3CG (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL10855 0.80 MAP4K4 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL145785 0.79 SRC (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21467047 0.79 FGFR1 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL408618 0.78 PIK3CD (0.55) LRRK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23917241 0.77 PIK3CD (0.57) LRRK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19414398 0.77 MAP4K4 (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2021-12-30 — — US disclosed
US-10442783-B2 2,3-disubstituted chromen-4-one compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-10-15 — — US disclosed
WO-2012151525-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-08 — — 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 (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-10442783-B2 2,3-disubstituted chromen-4-one compounds as modulators of protein kinases PIK3CB, PIK3CD, PDPK1 LRRK2 303/4885PIK3CD 2/4885PIK3CA 4/4885
US-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB LRRK2 317/4885PIK3CD 47/4885PIK3CA 88/4885

“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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