SCHEMBL16701663

SCHEMBL16701663

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.37
PIK3CD O00329 3/20 0.37
ABL1 P00519 3/20 0.37
HCK P08631 3/20 0.37
SRC P12931 3/20 0.37
KDR P35968 3/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CB P42338 3/20 0.37
MTOR P42345 3/20 0.37
PIK3CG P48736 3/20 0.37
EPHB4 P54760 3/20 0.37
PRKDC P78527 3/20 0.37
PI4KB Q9UBF8 3/20 0.37
CSF1R P07333 2/20 0.35
MAPT P10636 6/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 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
SCHEMBL16701765 0.95 EGFR (0.39) EGFRCSF1RMAPTCHRM5CHRM1
SCHEMBL16701722 0.91 EGFR (0.38) EGFRPIK3CDABL1HCKSRC
SCHEMBL16701427 0.91 EGFR (0.38) EGFRPIK3CDABL1HCKSRC
SCHEMBL16701601 0.89 EGFR (0.38) EGFRCSF1RCHRM5CHRM1CHRM3
SCHEMBL16702051 0.84 F10 (0.32) EGFRSRCKMT2ALCKJAK3
SCHEMBL16702107 0.84 EGFR (0.33) EGFRPIK3CDABL1HCKSRC
SCHEMBL16701713 0.84 EGFR (0.33) EGFRCSF1RLCKJAK3BTK
SCHEMBL16701631 0.83 EGFR (0.34) EGFRCSF1RKMT2AMEN1LCK
SCHEMBL16701531 0.83 F10 (0.32) EGFRLCKJAK3BTKITK
SCHEMBL16701936 0.83 FGFR2 (0.35) EGFRPIK3CDSRCKDRCSF1R

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 828/4885PIK3CD 2/4885ABL1 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.