SCHEMBL10261070

SCHEMBL10261070

Cc1nn(CCO)c2ncnc(N)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.52
▸ PIK3CD O00329 5/20 0.52
▸ PIK3CA P42336 3/20 0.52
▸ PIK3CB P42338 3/20 0.52
▸ PIK3CG P48736 3/20 0.52
▸ PRKDC P78527 3/20 0.52
▸ ABL1 P00519 3/20 0.52
▸ EGFR P00533 2/20 0.52
▸ HCK P08631 2/20 0.52
▸ KDR P35968 2/20 0.52
▸ MTOR P42345 2/20 0.52
▸ EPHB4 P54760 2/20 0.52
▸ PI4KB Q9UBF8 2/20 0.52
▸ ADORA2A P29274 3/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ YES1 P07947 3/20 0.44
▸ FGR P09769 3/20 0.44
▸ RET P07949 2/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ CYP1A2 P05177 2/20 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
SCHEMBL6926807 0.83 PIK3CD (0.52) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19476278 0.83 ADORA2A (0.49) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL868521 0.83 DYRK3 (0.51) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6929476 0.82 PIK3CD (0.48) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10261498 0.81 PIK3CD (0.53) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL25113285 0.81 RET (0.43) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24096871 0.81 SRC (0.45) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24096856 0.78 RET (0.55) SRCABL1EGFRKDRMTOR
SCHEMBL29780889 0.77 SRC (0.64) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21028946 0.76 PIK3CD (0.55) SRCPIK3CDPIK3CAPIK3CBPIK3CG

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
WO-2021252488-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-16 — — WO disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 — — US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 — — 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R SRC 2497/4885PIK3CD 725/4885PIK3CA 459/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R SRC 2497/4885PIK3CD 725/4885PIK3CA 459/4885

“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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