SCHEMBL16701656

SCHEMBL16701656

C=CC(=O)N(CCn1cc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.46
KCNH2 Q12809 2/20 0.46
MPO P05164 1/20 0.46
TPO P07202 1/20 0.46
SRC P12931 8/20 0.44
HCK P08631 4/20 0.44
EGFR P00533 4/20 0.44
PIK3CD O00329 3/20 0.44
ABL1 P00519 3/20 0.44
KDR P35968 3/20 0.44
PIK3CA P42336 3/20 0.44
PIK3CB P42338 3/20 0.44
MTOR P42345 3/20 0.44
PIK3CG P48736 3/20 0.44
EPHB4 P54760 3/20 0.44
PRKDC P78527 3/20 0.44
LCK P06239 4/20 0.44
TEK Q02763 1/20 0.44
CYP1A2 P05177 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL16701827 0.87 BTK (0.44) BTKKCNH2SRCHCKEGFR
SCHEMBL16702697 0.85 SRC (0.48) BTKKCNH2SRCHCKEGFR
SCHEMBL16701644 0.85 BTK (0.44) BTKKCNH2SRCHCKEGFR
SCHEMBL16701879 0.85 EGFR (0.56) BTKKCNH2SRCHCKEGFR
SCHEMBL16701595 0.84 SRC (0.47) BTKKCNH2SRCHCKEGFR
SCHEMBL16701846 0.84 SRC (0.53) BTKSRCEGFRABL1KDR
SCHEMBL16702190 0.83 SRC (0.48) BTKSRCEGFRABL1KDR
SCHEMBL16702038 0.83 SRC (0.46) BTKKCNH2SRCHCKEGFR
SCHEMBL18085454 0.83 BTK (0.45) BTKKCNH2SRCHCKEGFR
SCHEMBL16701579 0.83 SRC (0.52) BTKSRCEGFRABL1KDR

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 BTK 1/4885KCNH2 3424/4885MPO 2037/4885

“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.