SCHEMBL17699298

SCHEMBL17699298

CC(C)(C)OC(=O)CCn1nc(I)c2c(N)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.45
PTK6 Q13882 4/20 0.45
ABL1 P00519 4/20 0.45
HCK P08631 3/20 0.45
BLK P51451 3/20 0.45
FRK P42685 2/20 0.45
LCK P06239 2/20 0.41
FYN P06241 2/20 0.41
DYRK3 O43781 2/20 0.41
CDK1 P06493 2/20 0.41
ROS1 P08922 2/20 0.41
RPS6KB1 P23443 2/20 0.41
CDK2 P24941 2/20 0.41
CSNK1A1 P48729 2/20 0.41
CSNK1D P48730 2/20 0.41
CLK2 P49760 2/20 0.41
IRAK1 P51617 2/20 0.41
CDK5 Q00535 2/20 0.41
DYRK1A Q13627 2/20 0.41
NTRK3 Q16288 2/20 0.41

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
SCHEMBL17699271 0.93 SRC (0.44) SRCPTK6ABL1HCKBLK
SCHEMBL16701529 0.83 PTK6 (0.45) SRCPTK6ABL1HCKBLK
SCHEMBL17267635 0.81 DYRK3 (0.47) SRCBLKLCKFYNDYRK3
SCHEMBL17853709 0.81 SRC (0.42) SRCPTK6ABL1HCKBLK
SCHEMBL19294566 0.81 PTK6 (0.43) SRCPTK6ABL1HCKBLK
SCHEMBL29669814 0.81 PTK6 (0.43) SRCPTK6ABL1HCKBLK
SCHEMBL17915672 0.81 SRC (0.42) SRCPTK6ABL1HCKBLK
SCHEMBL23157415 0.80 SRC (0.41) SRCPTK6ABL1HCKBLK
SCHEMBL24651184 0.79 DYRK3 (0.48) SRCPTK6ABL1HCKBLK
SCHEMBL19294569 0.79 HDAC1 (0.50) SRCBLKLCKFYNDYRK3

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-9580432-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-02-28 US disclosed
US-20160115168-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-04-28 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-20160115168-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF BTK, JAK2, SYK SRC 18/4885PTK6 63/4885ABL1 14/4885

“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.