SCHEMBL1776267

SCHEMBL1776267

COCCn1nc(C#N)cc1CC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.38
MAP3K14 Q99558 1/20 0.36
IKBKE Q14164 2/20 0.35
TBK1 Q9UHD2 2/20 0.35
PDE4D Q08499 1/20 0.34
CYP2C19 P33261 2/20 0.34
KCNH2 Q12809 2/20 0.34
RET P07949 1/20 0.33
CHEK1 O14757 2/20 0.32
CRHR1 P34998 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
MAPK1 P28482 1/20 0.31
CTSS P25774 1/20 0.31
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
GCK P35557 1/20 0.30

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
SCHEMBL1776954 0.86 PDE4D (0.36) HTR6MAP3K14PDE4DCYP2C19KCNH2
SCHEMBL1778325 0.78 HCAR3 (0.38) HTR6SMN1; SMN2KAT6AKAT5GCK
SCHEMBL1777976 0.77 OPRM1 (0.39) HTR6KAT6AKAT5GCK
SCHEMBL1776723 0.74 FAAH (0.36) HTR6KAT6AKAT5GCK
SCHEMBL1776768 0.73 HTR6 (0.33) HTR6MAP3K14CRHR1
SCHEMBL1234919 0.71 CNR1 (0.38) KDM4EALDH1A1HPGD
SCHEMBL22782947 0.70 MPO (0.36) KDM4EALDH1A1HPGD
SCHEMBL1233655 0.70 SLC34A1 (0.32) KDM4EALDH1A1HPGD
SCHEMBL1777699 0.68 CRHR1 (0.34) HTR6MAP3K14CRHR1SMN1; SMN2KDM4E
SCHEMBL26233303 0.64 HTR6 (0.35) HTR6CYP2C19KCNH2MAPK1

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-7943636-B2 1-substituted pyrazolo (3,4-C) ring compounds as modulators of cytokine biosynthesis for the treatment of viral infections and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-25 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-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases IL2, IL4, IFNG HTR6 3373/4885MAP3K14 444/4885IKBKE 103/4885

“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.