SCHEMBL16701889

SCHEMBL16701889

C=CC(=O)N(CCn1nc(-c2ccc(CO)cc2)c2c(N)ncnc21)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.62
ITK Q08881 5/20 0.62
EGFR P00533 4/20 0.62
LCK P06239 4/20 0.62
JAK3 P52333 4/20 0.62
PIK3CD O00329 4/20 0.61
FYN P06241 2/20 0.54
LYN P07948 1/20 0.54
BLK P51451 1/20 0.54
FGFR2 P21802 3/20 0.51
FGFR1 P11362 3/20 0.51
PIK3CA P42336 3/20 0.47
PIK3CB P42338 3/20 0.47
PIK3CG P48736 3/20 0.47
PRKDC P78527 3/20 0.47
FGFR4 P22455 2/20 0.46
FGFR3 P22607 1/20 0.46
SRC P12931 1/20 0.45

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
SCHEMBL16702425 0.92 BTK (0.63) BTKITKEGFRLCKJAK3
SCHEMBL16702270 0.92 PIK3CD (0.60) BTKITKEGFRLCKJAK3
SCHEMBL16712869 0.91 BTK (0.61) BTKITKEGFRLCKJAK3
SCHEMBL16701587 0.91 BTK (0.61) BTKITKEGFRLCKJAK3
SCHEMBL16701436 0.90 BTK (0.77) BTKITKEGFRLCKJAK3
SCHEMBL16701967 0.88 PIK3CD (0.66) BTKITKEGFRLCKJAK3
SCHEMBL16701844 0.88 BTK (0.64) BTKITKEGFRLCKJAK3
SCHEMBL16701500 0.87 PIK3CD (0.65) BTKITKEGFRLCKJAK3
SCHEMBL16701840 0.87 BTK (0.61) BTKITKEGFRLCKJAK3
SCHEMBL16701580 0.86 PIK3CD (0.64) BTKITKEGFRLCKJAK3

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 4 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

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 BTK 1/4885ITK 390/4885EGFR 828/4885

“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.