SCHEMBL16701765

SCHEMBL16701765

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
CHRM5 P08912 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
CSF1R P07333 5/20 0.37
MAPT P10636 1/20 0.35
CHRM2 P08172 1/20 0.34
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
ITK Q08881 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE10A Q9Y233 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
F10 P00742 1/20 0.33

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
SCHEMBL16701663 0.95 EGFR (0.37) EGFRCHRM5CHRM1CHRM3CSF1R
SCHEMBL16701427 0.94 EGFR (0.38) EGFRCHRM5CHRM1CHRM3CSF1R
SCHEMBL16701722 0.94 EGFR (0.38) EGFRCHRM5CHRM1CHRM3CSF1R
SCHEMBL16701601 0.91 EGFR (0.38) EGFRCHRM5CHRM1CHRM3CSF1R
SCHEMBL16702051 0.87 F10 (0.32) EGFRLCKJAK3BTKITK
SCHEMBL16702107 0.87 EGFR (0.33) EGFRCSF1RLCKJAK3BTK
SCHEMBL16701713 0.86 EGFR (0.33) EGFRCSF1RLCKJAK3BTK
SCHEMBL16701951 0.86 ALDH1A1 (0.34) EGFRCSF1RLCKJAK3BTK
SCHEMBL16701631 0.86 EGFR (0.34) EGFRCSF1RLCKJAK3BTK
SCHEMBL16702127 0.86 LIMK1 (0.37) EGFRLCKJAK3BTKITK

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 828/4885CHRM5 4885/4885CHRM1 4879/4885

“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.