SCHEMBL16701951

SCHEMBL16701951

C=CC(=O)N(CCc1nn(-c2ccc(C(N)=O)cc2)c2c(N)ncnc12)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
EGFR P00533 3/20 0.33
LCK P06239 2/20 0.33
BTK Q06187 2/20 0.33
JAK3 P52333 1/20 0.33
ITK Q08881 1/20 0.33
CFTR P13569 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
F10 P00742 1/20 0.32
XDH P47989 1/20 0.32
LIMK1 P53667 2/20 0.32
PIK3CD O00329 1/20 0.32
CSF1R P07333 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TNK2 Q07912 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
BCL2A1 Q16548 1/20 0.31

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
SCHEMBL16702127 0.92 LIMK1 (0.37) ALDH1A1EGFRLCKBTKJAK3
SCHEMBL16701631 0.91 EGFR (0.34) EGFRLCKBTKJAK3ITK
SCHEMBL16701792 0.89 EGFR (0.36) EGFRLCKBTKJAK3ITK
SCHEMBL16701713 0.88 EGFR (0.33) EGFRLCKBTKJAK3ITK
SCHEMBL16701531 0.87 F10 (0.32) EGFRLCKBTKJAK3ITK
SCHEMBL16701765 0.86 EGFR (0.39) EGFRLCKBTKJAK3ITK
SCHEMBL16702107 0.86 EGFR (0.33) EGFRLCKBTKJAK3ITK
SCHEMBL16701774 0.85 F10 (0.32) EGFRLCKBTKJAK3ITK
SCHEMBL16701574 0.85 F10 (0.32) EGFRLCKBTKJAK3ITK
SCHEMBL16701648 0.85 F10 (0.36) EGFRLCKBTKJAK3ITK

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 ALDH1A1 4290/4885HPGD 1570/4885EGFR 828/4885

“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.