SCHEMBL16702202

SCHEMBL16702202

C=CC(=O)N(CCc1nn(-c2cccc(CO)c2)c2c(N)ncnc12)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.38
SRC P12931 5/20 0.38
ABL1 P00519 3/20 0.38
CDK1 P06493 2/20 0.38
ABL2 P42684 2/20 0.38
KDM4E B2RXH2 1/20 0.33
CSF1R P07333 3/20 0.33
PI4K2A Q9BTU6 1/20 0.33
BTK Q06187 3/20 0.32
JAK3 P52333 2/20 0.32
LCK P06239 1/20 0.32
ITK Q08881 1/20 0.32
LIMK1 P53667 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
KLKB1 P03952 2/20 0.30
PIK3CD O00329 1/20 0.30
HCK P08631 1/20 0.30
KDR P35968 1/20 0.30
PIK3CA P42336 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
SCHEMBL16701792 0.91 EGFR (0.36) EGFRSRCABL1CDK1ABL2
SCHEMBL16702127 0.89 LIMK1 (0.37) EGFRKDM4EBTKJAK3LCK
SCHEMBL16701713 0.86 EGFR (0.33) EGFRKDM4ECSF1RBTKJAK3
SCHEMBL16701631 0.86 EGFR (0.34) EGFRKDM4ECSF1RBTKJAK3
SCHEMBL16701531 0.85 F10 (0.32) EGFRBTKJAK3LCKITK
SCHEMBL16702107 0.85 EGFR (0.33) EGFRSRCABL1CSF1RBTK
SCHEMBL16701951 0.84 ALDH1A1 (0.34) EGFRKDM4ECSF1RBTKJAK3
SCHEMBL16701648 0.84 F10 (0.36) EGFRSRCABL1CSF1RBTK
SCHEMBL16701774 0.84 F10 (0.32) EGFRBTKJAK3LCKITK
SCHEMBL16701574 0.84 F10 (0.32) EGFRBTKJAK3LCKITK

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 EGFR 828/4885SRC 92/4885ABL1 62/4885

“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.