SCHEMBL1776456

SCHEMBL1776456

CCn1nc2c(N)nc3ccccc3c2c1CC1(F)CCN(C(=O)NC(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
CCR5 P51681 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 3/20 0.34
CHEK1 O14757 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
KCNK3 O14649 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1778533 0.94 CYP3A4 (0.37) CYP3A4SMN1; SMN2JAK2JAK1CCR5
SCHEMBL1778167 0.90 CYP3A4 (0.39) CYP3A4SMN1; SMN2JAK2JAK1CCR5
SCHEMBL1776616 0.88 NCF1 (0.39) ALDH1A1USP2TSHRCYP2D6HPGD
SCHEMBL1776547 0.81 KDM1A (0.37) CYP3A4ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL1777582 0.79 TLR7 (0.38) ALDH1A1HPGD
SCHEMBL1776815 0.79 UTS2R (0.38) CHEK1
SCHEMBL1777372 0.78 NCF1 (0.40) ALDH1A1USP2TSHRCYP2D6
SCHEMBL1776987 0.77 NCF1 (0.41) CYP3A4ALDH1A1CYP2C9USP2CYP2D6
SCHEMBL1775326 0.76 TLR7 (0.38)
SCHEMBL1776510 0.76 TLR7 (0.38)

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 6 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-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-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
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
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 CYP3A4 199/4885SMN1; SMN2 4525/4885JAK2 69/4885

“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.