SCHEMBL4127082

SCHEMBL4127082

Clc1nc(-n2cnc3cc(Cl)c(Cl)cc32)c2nc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.38
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL4122719 0.87 TSHR (0.39)
SCHEMBL4110930 0.82 MKNK2 (0.45) MKNK1MKNK2
SCHEMBL4123208 0.80 FGFR1 (0.48) IRAK4
SCHEMBL4652773 0.77 IRAK4 (0.43) IRAK4MKNK1MKNK2
SCHEMBL4654969 0.77 IRAK4 (0.43) IRAK4MKNK1MKNK2
Hydrochloric Acid SCHEMBL4117078 0.77 IRAK4 (0.42) IRAK4MKNK1MKNK2
Hydrochloric Acid SCHEMBL4117075 0.77 IRAK4 (0.42) IRAK4MKNK1MKNK2
SCHEMBL4127174 0.69 BIRC5 (0.41) MKNK1MKNK2
SCHEMBL11956176 0.69 CYP2E1 (0.33)
SCHEMBL3771498 0.68 KDM4E (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476670-B2 Purine derivatives, method for preparing, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2009-01-13 US disclosed
EP-1597258-B1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA SA (FR) 2008-11-05 EP disclosed
US-20070185140-A1 Novel purine derivatives, method for preparing them, their application as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S. A. (FR) 2007-08-09 US disclosed
EP-1597258-A2 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2005-11-23 EP disclosed
WO-2004073595-A2 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA S.A. (FR) 2004-09-02 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-20070185140-A1 Novel purine derivatives, method for preparing them, their application as medicinal products, pharmaceutical compositions and novel use NR4A3, NR4A1, ADORA3 IRAK4 1010/4885MKNK1 4657/4885MKNK2 4504/4885

“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.