SCHEMBL16701529

SCHEMBL16701529

CC(C)(C)OC(=O)NCCn1nc(I)c2c(N)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 7/20 0.45
SRC P12931 7/20 0.45
LCK P06239 3/20 0.45
FYN P06241 3/20 0.45
BLK P51451 3/20 0.45
HCK P08631 3/20 0.45
FRK P42685 2/20 0.45
LYN P07948 1/20 0.45
ABL1 P00519 9/20 0.44
KDR P35968 4/20 0.43
FGFR2 P21802 1/20 0.43
EGFR P00533 3/20 0.42
BTK Q06187 2/20 0.42
JAK3 P52333 1/20 0.42
ITK Q08881 1/20 0.42
DOT1L Q8TEK3 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
PRKDC P78527 2/20 0.39

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
SCHEMBL29669814 0.93 PTK6 (0.43) PTK6SRCLCKFYNBLK
SCHEMBL19294566 0.93 PTK6 (0.43) PTK6SRCLCKFYNBLK
SCHEMBL17915672 0.89 SRC (0.42) PTK6SRCLCKFYNBLK
SCHEMBL19476923 0.87 PTK6 (0.47) PTK6SRCLCKFYNBLK
SCHEMBL16701727 0.86 KDR (0.44) SRCLCKFYNBLKHCK
SCHEMBL17699298 0.83 SRC (0.45) PTK6SRCLCKFYNBLK
SCHEMBL16701486 0.83 BTK (0.47) SRCLCKFYNBLKKDR
SCHEMBL21528214 0.83 BTK (0.42) PTK6SRCLCKFYNBLK
SCHEMBL31186246 0.83 BTK (0.42) PTK6SRCLCKFYNBLK
SCHEMBL17699271 0.81 SRC (0.44) PTK6SRCLCKFYNBLK

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 PTK6 492/4885SRC 92/4885LCK 51/4885

“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.