SCHEMBL1777657

SCHEMBL1777657

CCn1nc(C#N)c(Br)c1CC1(F)CCN(S(C)(=O)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1777650 0.92 CYP2D6 (0.33) CYP2D6TSHRKDM1A
SCHEMBL1776557 0.86 CYP2D6 (0.34) CYP2D6TSHRKDM1AALDH1A1
SCHEMBL1778976 0.82 CYP1A2 (0.36) CYP2D6TSHR
SCHEMBL1778064 0.72 CTSK (0.31)
Hydrochloric Acid SCHEMBL1780001 0.71 CTSK (0.30)
SCHEMBL1776904 0.70 JAK2 (0.38)
SCHEMBL1232336 0.69 CYP11B2 (0.31)
SCHEMBL1776630 0.65
SCHEMBL1776547 0.65 KDM1A (0.37) CYP2D6TSHRKDM1AALDH1A1
SCHEMBL1234933 0.65 CTSK (0.32)

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 4 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
EP-1863814-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) 2007-12-12 EP disclosed
WO-2006107851-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) 2006-10-12 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-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 CYP2D6 516/4885TSHR 3370/4885KDM1A 3726/4885

“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.