SCHEMBL4853908

SCHEMBL4853908

CC(Nc1ncc2cc(C(=O)Cc3ccccc3Cl)n(-c3ccc(F)cc3)c2n1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.44
NTRK1 P04629 3/20 0.39
IDH1 O75874 1/20 0.38
MAPK13 O15264 3/20 0.37
MAPK12 P53778 3/20 0.37
MAPK11 Q15759 3/20 0.37
FGFR1 P11362 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
ADRA1D P25100 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PLK1 P53350 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4848888 0.88 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11FGFR1
SCHEMBL14159005 0.88 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11FGFR1
SCHEMBL4853103 0.85 MAPK14 (0.46) MAPK14NTRK1IDH1MAPK13MAPK12
SCHEMBL4856081 0.82 HDAC3 (0.43) MAPK14IDH1MAPK13MAPK12MAPK11
SCHEMBL4856292 0.80 MAPT (0.38) MAPK1NR3C1
SCHEMBL4855901 0.79 PTGS2 (0.37) MEN1KMT2AMAPK1NR3C1
SCHEMBL14163802 0.79 PDE4A (0.36) MEN1KMT2AMAPK1NR3C1
SCHEMBL14158921 0.76 PDE4A (0.37) MEN1KMT2AMAPK1NR3C1
SCHEMBL4857398 0.75 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11FGFR1
SCHEMBL4857416 0.75 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11FGFR1

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 2806/4885NTRK1 4653/4885IDH1 504/4885

“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.