SCHEMBL16701640

SCHEMBL16701640

C=CC(=O)N(CCn1nc(-c2ccc(OCC)c(OC)c2)c2c(N)ncnc21)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.62
PIK3CD O00329 11/20 0.62
ABL1 P00519 10/20 0.62
SRC P12931 10/20 0.62
PIK3CA P42336 10/20 0.62
PIK3CB P42338 10/20 0.62
PIK3CG P48736 10/20 0.62
PRKDC P78527 10/20 0.62
HCK P08631 9/20 0.62
KDR P35968 9/20 0.62
MTOR P42345 9/20 0.62
EPHB4 P54760 9/20 0.62
PI4KB Q9UBF8 8/20 0.62
BTK Q06187 3/20 0.56
ITK Q08881 3/20 0.56
LCK P06239 2/20 0.56
JAK3 P52333 2/20 0.56
FGFR1 P11362 4/20 0.55
FGFR2 P21802 3/20 0.55
FGFR3 P22607 2/20 0.55

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
SCHEMBL16701964 0.95 FGFR2 (0.59) EGFRPIK3CDABL1SRCPIK3CA
SCHEMBL16701841 0.92 PIK3CD (0.60) EGFRPIK3CDABL1SRCPIK3CA
SCHEMBL16702043 0.91 PIK3CD (0.61) EGFRPIK3CDABL1SRCPIK3CA
SCHEMBL16701571 0.89 EGFR (0.56) EGFRPIK3CDABL1SRCPIK3CA
SCHEMBL16702036 0.89 EGFR (0.64) EGFRPIK3CDABL1SRCPIK3CA
SCHEMBL16702174 0.88 EGFR (0.62) EGFRPIK3CDABL1SRCPIK3CA
SCHEMBL16701842 0.85 PIK3CD (0.59) EGFRPIK3CDABL1SRCPIK3CA
SCHEMBL16701967 0.84 PIK3CD (0.66) EGFRPIK3CDABL1SRCPIK3CA
SCHEMBL16701580 0.84 PIK3CD (0.64) EGFRPIK3CDABL1SRCPIK3CA
SCHEMBL16701955 0.84 FGFR2 (0.62) EGFRPIK3CDABL1SRCPIK3CA

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 5 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
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 EGFR 828/4885PIK3CD 2/4885ABL1 62/4885

“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.