SCHEMBL16701631

SCHEMBL16701631

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.34
BTK Q06187 3/20 0.34
LCK P06239 2/20 0.34
JAK3 P52333 1/20 0.34
ITK Q08881 1/20 0.34
CSF1R P07333 5/20 0.32
KDM4E B2RXH2 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
LIMK1 P53667 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 0.91 EGFR (0.33) EGFRBTKLCKJAK3ITK
SCHEMBL16701792 0.91 EGFR (0.36) EGFRBTKLCKJAK3ITK
SCHEMBL16701951 0.91 ALDH1A1 (0.34) EGFRBTKLCKJAK3ITK
SCHEMBL16701531 0.90 F10 (0.32) EGFRBTKLCKJAK3ITK
SCHEMBL16702107 0.89 EGFR (0.33) EGFRBTKLCKJAK3ITK
SCHEMBL16701648 0.89 F10 (0.36) EGFRBTKLCKJAK3ITK
SCHEMBL16701774 0.89 F10 (0.32) EGFRBTKLCKJAK3ITK
SCHEMBL16701574 0.89 F10 (0.32) EGFRBTKLCKJAK3ITK
SCHEMBL16701767 0.87 EGFR (0.34) EGFRBTKLCKJAK3ITK
SCHEMBL16702127 0.87 LIMK1 (0.37) EGFRBTKLCKJAK3ITK

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 828/4885BTK 1/4885LCK 51/4885

“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.