SCHEMBL14929552

SCHEMBL14929552

CC[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(C)cn(C)c2=O)nc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.57
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
TEC P42680 1/20 0.47
TXK P42681 1/20 0.47
BLK P51451 1/20 0.47
BMX P51813 1/20 0.47
JAK3 P52333 1/20 0.47
CD69 Q07108 1/20 0.47
ITK Q08881 1/20 0.47
ERBB4 Q15303 1/20 0.47

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
SCHEMBL14915771 0.91 BTK (0.55) BTK
SCHEMBL29741878 0.91 BTK (0.55) BTK
SCHEMBL14915773 0.91 BTK (0.55) BTK
SCHEMBL25707138 0.89 BTK (0.58) BTKEGFRERBB2TECTXK
SCHEMBL14913280 0.86 BTK (0.53) BTKEGFRERBB2TECTXK
SCHEMBL14914541 0.86 BTK (0.53) BTKEGFRERBB2TECTXK
SCHEMBL20281235 0.81 BTK (0.62) BTKEGFRERBB2TECTXK
SCHEMBL14916195 0.79 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL14913070 0.79 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL14914054 0.79 BTK (0.55) BTKEGFRERBB2TECTXK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669251-B2 8-fluorophthalazin-1(2H)-one compounds GENENTECH, INC. (US) 2014-03-11 US disclosed
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US 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-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK BTK 1/4885EGFR 1715/4885ERBB2 163/4885

“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.