SCHEMBL4848869

SCHEMBL4848869

O=C(c1ccc(F)cc1)c1cc2cnc(NC3CCOCC3)nc2n1-c1c(F)cccc1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.51
MAPK8 P45983 3/20 0.48
MAPK9 P45984 2/20 0.48
MAPK10 P53779 2/20 0.48
GAK O14976 1/20 0.48
RPS6KA4 O75676 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
MAPK1 P28482 1/20 0.48
CSNK1D P48730 1/20 0.48
RPS6KA3 P51812 1/20 0.48
DDR1 Q08345 1/20 0.48
MAPK11 Q15759 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
COQ8A Q8NI60 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
STK36 Q9NRP7 1/20 0.48
NLK Q9UBE8 1/20 0.48

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
SCHEMBL4854485 0.89 MAPK14 (0.52) MAPK14MAPK8MAPK9MAPK10GAK
SCHEMBL4854295 0.85 MAPK14 (0.44) MAPK14MAPK8MAPK9MAPK10GAK
SCHEMBL4854308 0.81 MAPK14 (0.37) MAPK14MAPK8MAPK9MAPK10RPS6KA3
SCHEMBL14158808 0.79 CDK4 (0.37) MAPK14
SCHEMBL4847893 0.78 MAPK14 (0.51) MAPK14MAPK8MAPK9MAPK10GAK
SCHEMBL4854451 0.78 MAPK14 (0.49) MAPK14MAPK8MAPK9MAPK10GAK
SCHEMBL4854065 0.78 CCNT1 (0.40) MAPK14MAPK8
SCHEMBL4858892 0.76 ALDH1A1 (0.41) MAPK1
SCHEMBL4848607 0.76 MAPK14 (0.39) MAPK14MAPK8MAPK9MAPK10RPS6KA4
SCHEMBL4848602 0.76 MAPK14 (0.39) MAPK14MAPK8MAPK9MAPK10RPS6KA4

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 7 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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
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
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 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 2806/4885MAPK8 2799/4885MAPK9 2465/4885

“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.