SCHEMBL4855901

SCHEMBL4855901

CS(=O)(=O)c1ncc2cc(C(=O)Cc3ccccc3Cl)n(-c3ccc(F)cc3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.37
NR3C1 P04150 1/20 0.37
MAPT P10636 4/20 0.36
TP53 P04637 3/20 0.36
USP2 O75604 1/20 0.36
TLR9 Q9NR96 3/20 0.36
MAPK1 P28482 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CXCR5 P32302 1/20 0.36
APLNR P35414 1/20 0.36
CCR6 P51684 1/20 0.36
PDE4A P27815 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MITF O75030 1/20 0.35
S1PR4 O95977 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4856292 0.84 MAPT (0.38) NR3C1MAPTTP53MAPK1PDE4A
SCHEMBL14163802 0.83 PDE4A (0.36) NR3C1MAPTTP53USP2MAPK1
SCHEMBL14163798 0.81 PDE4A (0.35) NR3C1MAPTTP53USP2MAPK1
SCHEMBL14158921 0.80 PDE4A (0.37) NR3C1MAPTTP53MAPK1PDE4A
SCHEMBL4854391 0.80 PTGS2 (0.40) PTGS2ALDH1A1
SCHEMBL4853908 0.79 MAPK14 (0.44) NR3C1MAPK1MEN1KMT2A
SCHEMBL4848888 0.78 MAPK14 (0.44) NR3C1USP2MAPK1PDE4AALDH1A1
SCHEMBL14159005 0.78 MAPK14 (0.44) NR3C1USP2MAPK1PDE4AALDH1A1
SCHEMBL4090927 0.77 RIPK2 (0.46) PTGS2USP2MAPK1ALDH1A1MEN1
SCHEMBL4849640 0.72 PTGS2 (0.41) PTGS2MAPTUSP2TLR9MAPK1

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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors DPYD, IL1B, IL6 PTGS2 205/4885NR3C1 3437/4885MAPT 3310/4885

“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.