SCHEMBL4856513

SCHEMBL4856513

CC(Nc1ncc2cc(C(=NO)c3ccccc3Cl)n(-c3c(F)cccc3F)c2n1)C(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.36
FGFR1 P11362 4/20 0.35
WEE1 P30291 1/20 0.34
TNF P01375 4/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
EGFR P00533 2/20 0.30
PDGFRB P09619 2/20 0.30
SRC P12931 2/20 0.30
PDGFRA P16234 2/20 0.30
STAT5A P42229 1/20 0.30
ACVR1 Q04771 1/20 0.30
PKMYT1 Q99640 1/20 0.30
ABL1 P00519 1/20 0.30
KIT P10721 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
SCHEMBL4856509 1.00 MAPK14 (0.36) MAPK14FGFR1WEE1TNFMAPK8
SCHEMBL4856042 0.91 MAPK14 (0.37) MAPK14FGFR1WEE1ADORA2AADORA1
SCHEMBL4848856 0.88 MAPK14 (0.41) MAPK14FGFR1WEE1TNFPDGFRB
SCHEMBL4848848 0.88 MAPK14 (0.41) MAPK14FGFR1WEE1TNFPDGFRB
SCHEMBL4857829 0.85 MAPK14 (0.35) MAPK14WEE1MAPK8MAPK9MAPK10
SCHEMBL4857822 0.85 MAPK14 (0.35) MAPK14WEE1MAPK8MAPK9MAPK10
SCHEMBL4851697 0.80 MAPK14 (0.35) MAPK14FGFR1WEE1CDK2ADORA2A
SCHEMBL4851693 0.80 MAPK14 (0.35) MAPK14FGFR1WEE1CDK2ADORA2A
SCHEMBL4851189 0.79 TNF (0.38) MAPK14FGFR1WEE1TNF
SCHEMBL4859032 0.78 MAPK14 (0.35) MAPK14MAPK8MAPK9MAPK10ADORA2A

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 3 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 claimed
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 MAPK14 2806/4885FGFR1 573/4885WEE1 2835/4885

“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.