SCHEMBL1777313

SCHEMBL1777313

CC(C)NC(=O)N1CCC(F)(Cc2c(Br)c(C#N)nn2C)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
CYP3A4 P08684 8/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
USP2 O75604 3/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 2/20 0.34
KDM1A O60341 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.32
PKM P14618 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
SCHEMBL1776058 0.89 CYP3A4 (0.35) JAK2JAK1CYP3A4CYP1A2CYP2C9
SCHEMBL1777608 0.88 CYP3A4 (0.35) JAK2JAK1CYP3A4CYP1A2CYP2C9
SCHEMBL1776989 0.85 CYP1A2 (0.35) CYP1A2CYP2C9CYP2D6CYP2C19HIF1A
SCHEMBL1777063 0.80 JAK2 (0.40) JAK2JAK1
SCHEMBL1776557 0.76 CYP2D6 (0.34) JAK2JAK1CYP3A4CYP2C9ALDH1A1
SCHEMBL1776630 0.74
Hydrochloric Acid SCHEMBL1778225 0.73
SCHEMBL1778976 0.72 CYP1A2 (0.36) CYP1A2CYP2C9CYP2D6HIF1ATSHR
SCHEMBL1778167 0.68 CYP3A4 (0.39) JAK2JAK1CYP3A4CYP1A2CYP2C9
SCHEMBL24568676 0.66 CYP1A2 (0.62) CYP3A4CYP1A2CYP2C9ALDH1A1CYP2D6

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 JAK2 69/4885JAK1 52/4885CYP3A4 199/4885

“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.