SCHEMBL16701525

SCHEMBL16701525

Nc1ncnc2c1c(-c1cc(O)c(F)c(F)c1)nn2CCNc1ncccn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 16/20 0.58
▸ BTK Q06187 2/20 0.52
▸ PIK3CA P42336 13/20 0.50
▸ PIK3CG P48736 13/20 0.50
▸ ABL1 P00519 12/20 0.50
▸ EGFR P00533 12/20 0.50
▸ HCK P08631 12/20 0.50
▸ SRC P12931 12/20 0.50
▸ KDR P35968 12/20 0.50
▸ PIK3CB P42338 12/20 0.50
▸ MTOR P42345 12/20 0.50
▸ EPHB4 P54760 12/20 0.50
▸ PRKDC P78527 12/20 0.50
▸ PI4KB Q9UBF8 9/20 0.45
▸ FGFR1 P11362 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ PIK3C2B O00750 1/20 0.42

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
SCHEMBL16702031 0.85 PIK3CD (0.58) PIK3CDBTKPIK3CAPIK3CGABL1
SCHEMBL16702035 0.81 PIK3CD (0.51) PIK3CDBTKPIK3CAPIK3CGABL1
SCHEMBL23917454 0.79 PIK3CD (0.65) PIK3CDBTKPIK3CAPIK3CGABL1
SCHEMBL16712875 0.75 PIK3CD (0.72) PIK3CDBTKPIK3CAPIK3CGABL1
SCHEMBL16701439 0.74 PIK3CD (1.00) PIK3CDBTKPIK3CAPIK3CGABL1
SCHEMBL16702027 0.72 PIK3CD (0.54) PIK3CDBTKPIK3CAPIK3CGABL1
SCHEMBL14086589 0.69 PIK3CD (0.76) PIK3CDBTKPIK3CAPIK3CGABL1
SCHEMBL16655677 0.69 PIK3CD (1.00) PIK3CDBTKPIK3CAPIK3CGABL1
SCHEMBL16655580 0.69 PIK3CD (0.67) PIK3CDBTKPIK3CAPIK3CGABL1
SCHEMBL16701520 0.69 PIK3CD (0.73) PIK3CDBTKPIK3CGPIK3C2B

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 7 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 claimed
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 claimed
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 — — US disclosed
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 — — US disclosed
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
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 2/4885BTK 1/4885PIK3CA 6/4885

“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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