SCHEMBL16702170

SCHEMBL16702170

C=CC(=O)N(CCc1nn(-c2ccc(O)c(C#N)c2)c2c(N)ncnc12)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
BTK Q06187 2/20 0.33
F10 P00742 1/20 0.31
EGFR P00533 1/20 0.30
LCK P06239 1/20 0.30
JAK3 P52333 1/20 0.30
ITK Q08881 1/20 0.30

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
SCHEMBL16701713 0.90 EGFR (0.33) KDM4EBTKF10EGFRLCK
SCHEMBL16701531 0.88 F10 (0.32) BTKF10EGFRLCKJAK3
SCHEMBL16702107 0.87 EGFR (0.33) BTKF10EGFRLCKJAK3
SCHEMBL16701631 0.86 EGFR (0.34) KDM4EBTKEGFRLCKJAK3
SCHEMBL16701774 0.86 F10 (0.32) BTKF10EGFRLCKJAK3
SCHEMBL16701574 0.86 F10 (0.32) BTKF10EGFRLCKJAK3
SCHEMBL16701648 0.86 F10 (0.36) BTKF10EGFRLCKJAK3
SCHEMBL16701753 0.86 F10 (0.32) BTKF10EGFRLCKJAK3
SCHEMBL16701722 0.86 EGFR (0.38) KDM4EBTKF10EGFRLCK
SCHEMBL16701781 0.84 F10 (0.32) BTKF10EGFRLCKJAK3

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 KDM4E 1755/4885BTK 1/4885F10 3348/4885

“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.