SCHEMBL17853709

SCHEMBL17853709

CN(CCCn1nc(I)c2c(N)ncnc21)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.42
PTK6 Q13882 5/20 0.42
ABL1 P00519 5/20 0.42
HCK P08631 3/20 0.42
BLK P51451 3/20 0.42
FRK P42685 2/20 0.42
BTK Q06187 2/20 0.41
LCK P06239 3/20 0.41
FYN P06241 3/20 0.41
LYN P07948 1/20 0.41
EGFR P00533 1/20 0.40
JAK3 P52333 1/20 0.40
ITK Q08881 1/20 0.40
HDAC1 Q13547 4/20 0.39
PIK3CD O00329 1/20 0.37
KDR P35968 2/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
DYRK3 O43781 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL23157415 0.97 SRC (0.41) SRCPTK6ABL1HCKBLK
SCHEMBL17699271 0.83 SRC (0.44) SRCPTK6ABL1HCKBLK
SCHEMBL20553297 0.82 BTK (0.42) SRCBLKBTKLCKFYN
SCHEMBL17699298 0.81 SRC (0.45) SRCPTK6ABL1HCKBLK
SCHEMBL29669814 0.80 PTK6 (0.43) SRCPTK6ABL1HCKBLK
SCHEMBL19294566 0.80 PTK6 (0.43) SRCPTK6ABL1HCKBLK
SCHEMBL25030580 0.78 SRC (0.59) SRCPTK6ABL1HCKBLK
SCHEMBL16701529 0.78 PTK6 (0.45) SRCPTK6ABL1HCKBLK
SCHEMBL16701431 0.77 PIK3CD (0.40) SRCPTK6ABL1HCKBLK
SCHEMBL17853712 0.77 HDAC1 (0.46) SRCBTKLCKEGFRJAK3

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-9695181-B2 Hydroximic acid derivatives and medical applications therof Feng, Zixia (CN) 2017-07-04 US disclosed
US-9695181-B2 Hydroximic acid derivatives and medical applications therof Feng, Zixia (CN) 2017-07-04 US disclosed
US-20160176879-A1 Novel Hydroximic Acid Derivative and Medical Application Thereof ZENG, ZIXIA (CN) 2016-06-23 US disclosed
US-20160176879-A1 Novel Hydroximic Acid Derivative and Medical Application Thereof ZENG, ZIXIA (CN) 2016-06-23 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-20160176879-A1 Novel Hydroximic Acid Derivative and Medical Application Thereof HCAR2, HCAR1, HDAC5 SRC 521/4885PTK6 152/4885ABL1 724/4885

“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.