SCHEMBL16701504

SCHEMBL16701504

C=CC(=O)N(CCn1nc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc21)Cc1ccsc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 17/20 0.65
▸ PIK3CA P42336 16/20 0.49
▸ PIK3CG P48736 16/20 0.49
▸ EGFR P00533 16/20 0.48
▸ BTK Q06187 2/20 0.48
▸ LCK P06239 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ ITK Q08881 1/20 0.48
▸ ABL1 P00519 15/20 0.47
▸ HCK P08631 15/20 0.47
▸ SRC P12931 15/20 0.47
▸ KDR P35968 15/20 0.47
▸ PIK3CB P42338 15/20 0.47
▸ MTOR P42345 15/20 0.47
▸ EPHB4 P54760 15/20 0.47
▸ PRKDC P78527 15/20 0.47
▸ PI4KB Q9UBF8 12/20 0.47
▸ FGFR1 P11362 1/20 0.44
▸ FGFR2 P21802 1/20 0.44
▸ FGFR4 P22455 1/20 0.44

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
SCHEMBL16701766 0.89 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGEGFRBTK
SCHEMBL16701676 0.89 PIK3CD (0.77) PIK3CDPIK3CAPIK3CGEGFRBTK
SCHEMBL16701513 0.88 PIK3CD (0.73) PIK3CDPIK3CAPIK3CGEGFRBTK
SCHEMBL16701582 0.87 PIK3CD (0.59) PIK3CDPIK3CAPIK3CGEGFRBTK
SCHEMBL16701508 0.86 PIK3CD (0.66) PIK3CDPIK3CAPIK3CGEGFRBTK
SCHEMBL16701428 0.84 PIK3CD (0.59) PIK3CDPIK3CAPIK3CGEGFRBTK
SCHEMBL16701967 0.82 PIK3CD (0.66) PIK3CDPIK3CAPIK3CGEGFRBTK
SCHEMBL16701500 0.81 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGEGFRBTK
SCHEMBL16702160 0.80 EGFR (0.58) PIK3CDPIK3CAPIK3CGEGFRBTK
SCHEMBL16701694 0.80 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGEGFRBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 — — US disclosed
WO-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 — — 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 (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-20160272645-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CA 6/4885PIK3CG 8/4885

“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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