SCHEMBL23917224

SCHEMBL23917224

Nc1ncnc2[nH]nc(-c3cc(F)c4c(c3)NCCO4)c12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.56
▸ BTK Q06187 3/20 0.56
▸ CDK4 P11802 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ EGFR P00533 5/20 0.38
▸ DHFR P00374 1/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PIK3CB P42338 2/20 0.31
▸ PIK3CG P48736 2/20 0.31
▸ PRKDC P78527 2/20 0.31
▸ AR P10275 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ HCK P08631 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ EPHB4 P54760 1/20 0.31

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
SCHEMBL20093476 0.74 VRK1 (0.41) PIK3CDBTKEGFRPIK3CAPIK3CB
SCHEMBL11975 0.73 PIK3CB (0.39) PIK3CDBTKEGFRPIK3CAPIK3CB
SCHEMBL23917192 0.73 MAP4K4 (0.38) PIK3CDBTKEGFRPIK3CAPIK3CB
SCHEMBL16655566 0.72 PIK3CD (1.00) PIK3CDBTK
SCHEMBL16655157 0.71 PIK3CD (0.47) PIK3CDBTKEGFRPIK3CAPIK3CB
SCHEMBL9010 0.69 PIK3CG (0.54) PIK3CDBTKEGFRPIK3CAPIK3CB
SCHEMBL21245727 0.68 CDK4 (0.53) PIK3CDBTKCDK4CDK6EGFR
SCHEMBL13718282 0.68 PDE3B (0.44) —
SCHEMBL21467056 0.68 PIK3CD (0.55) PIK3CDEGFRPIK3CAPIK3CBPIK3CG
SCHEMBL16065725 0.67 PIK3CD (0.53) PIK3CDBTKEGFRPIK3CAPIK3CB

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-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 — — 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB PIK3CD 2/4885BTK 1/4885CDK4 164/4885

“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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