SCHEMBL3760928

SCHEMBL3760928

COc1ccc(C(N)c2nnc(Cl)c3c(F)cccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.36
GAA P10253 3/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MARK4 Q96L34 1/20 0.32
DYRK3 O43781 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL3762536 0.90 GPR139 (0.36) GPR139GAAALDH1A1LMNAKDM4E
SCHEMBL3765279 0.78 GPR139 (0.36) GPR139GAAALDH1A1KDM4EHTT
SCHEMBL3107694 0.77 PDE5A (0.35) GPR139GAAALDH1A1KDM4EMAOB
SCHEMBL3109998 0.77 GPR139 (0.35) GPR139GAAALDH1A1KDM4EMAOB
SCHEMBL3759272 0.75 GPR139 (0.43) GPR139GAAALDH1A1LMNAKDM4E
SCHEMBL3758608 0.72 MAPT (0.36) GPR139GAAALDH1A1KDM4EMAPT
SCHEMBL3755762 0.72 MAPT (0.36) GPR139GAAALDH1A1KDM4EMAPT
SCHEMBL3760932 0.72 CASP1 (0.51) CASP1
SCHEMBL14407021 0.71 NFE2L2 (0.42) GAAALDH1A1KDM4EHTTCYP1A2
SCHEMBL15024085 0.71 NFE2L2 (0.42) GAAALDH1A1KDM4EHTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US claimed
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 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-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 GPR139 1757/4885GAA 263/4885ALDH1A1 1221/4885

“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.