SCHEMBL4852983

SCHEMBL4852983

CS(=O)(=O)c1ncc2cc(C(=O)c3ccc(F)cc3)n(-c3c(F)cccc3F)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
VNN1 O95497 1/20 0.35
HSP90AA1 P07900 1/20 0.33
RORC P51449 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TLR9 Q9NR96 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
PTGS1 P23219 1/20 0.32
TP53 P04637 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
BRD4 O60885 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
SCHEMBL4858892 0.82 ALDH1A1 (0.41) MEN1KMT2AUSP2LMNA
SCHEMBL4855863 0.82 RXFP1 (0.36) MAPTHSP90AA1MEN1NPC1RAB9A
SCHEMBL14158877 0.80 MAPK14 (0.33) HSP90AA1MEN1NPC1KMT2AMAPK13
SCHEMBL14158808 0.80 CDK4 (0.37) VNN1HSP90AA1MAPK14CDK1CDK4
SCHEMBL4854308 0.79 MAPK14 (0.37) VNN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL14163794 0.78 HSP90AA1 (0.33) HSP90AA1NPC1MAPK13MAPK12MAPK11
SCHEMBL14158876 0.78 HSP90AA1 (0.35) MAPTHSP90AA1MAPK13MAPK12MAPK11
SCHEMBL4848710 0.78 CYP1A2 (0.45) MEN1KMT2AUSP2
SCHEMBL4848602 0.76 MAPK14 (0.39) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4848607 0.76 MAPK14 (0.39) MAPK13MAPK12MAPK11MAPK14

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 205/4885MAPT 3310/4885POLB 349/4885

“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.