SCHEMBL16701595

SCHEMBL16701595

C=CC(=O)N(CCn1cc(-c2ccc(N)c(O)c2)c2c(N)ncnc21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.47
LCK P06239 4/20 0.47
TEK Q02763 1/20 0.47
BTK Q06187 10/20 0.47
EGFR P00533 1/20 0.42
JAK3 P52333 1/20 0.42
ITK Q08881 1/20 0.42
CYP1A2 P05177 1/20 0.42
FYN P06241 1/20 0.42
YES1 P07947 1/20 0.42
LYN P07948 1/20 0.42
RET P07949 1/20 0.42
HCK P08631 1/20 0.42
CYP3A4 P08684 1/20 0.42
FGR P09769 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TXK P42681 1/20 0.42
FRK P42685 1/20 0.42

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
SCHEMBL16702697 0.94 SRC (0.48) SRCLCKTEKBTKEGFR
SCHEMBL16702038 0.92 SRC (0.46) SRCLCKTEKBTKEGFR
SCHEMBL16702463 0.91 BTK (0.46) SRCLCKTEKBTKEGFR
SCHEMBL16701988 0.91 BTK (0.46) SRCLCKTEKBTKEGFR
SCHEMBL16701701 0.91 BTK (0.46) SRCLCKTEKBTKEGFR
SCHEMBL16702042 0.89 BTK (0.46) SRCLCKTEKBTKEGFR
SCHEMBL16701672 0.89 SRC (0.47) SRCLCKTEKBTKEGFR
SCHEMBL16701846 0.89 SRC (0.53) SRCLCKTEKBTKEGFR
SCHEMBL18085454 0.88 BTK (0.45) SRCLCKTEKBTKEGFR
SCHEMBL16701605 0.88 FLT3 (0.45) SRCLCKTEKBTKFLT3

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 SRC 92/4885LCK 51/4885TEK 3073/4885

“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.