SCHEMBL4853103

SCHEMBL4853103

CC(Nc1ncc2cc(C(=O)c3ccccc3Cl)n(-c3ccc(F)cc3)c2n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.46
NTRK1 P04629 3/20 0.40
IDH1 O75874 2/20 0.39
FGFR1 P11362 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
PLK1 P53350 1/20 0.37
MAPK13 O15264 3/20 0.37
MAPK12 P53778 3/20 0.37
MAPK11 Q15759 3/20 0.37
MAPK1 P28482 2/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL4856081 0.88 HDAC3 (0.43) MAPK14IDH1HDAC3HDAC1HDAC2
SCHEMBL4857398 0.88 MAPK14 (0.37) MAPK14FGFR1MAPK13MAPK12MAPK11
SCHEMBL4857416 0.88 MAPK14 (0.37) MAPK14FGFR1MAPK13MAPK12MAPK11
SCHEMBL4848540 0.87 MAPK14 (0.46) MAPK14FGFR1MAPK13MAPK12MAPK11
SCHEMBL4848543 0.87 MAPK14 (0.46) MAPK14FGFR1MAPK13MAPK12MAPK11
SCHEMBL4853908 0.85 MAPK14 (0.44) MAPK14NTRK1IDH1FGFR1HDAC3
SCHEMBL4858023 0.85 MAPK14 (0.47) MAPK14FGFR1MAPK13MAPK12MAPK11
SCHEMBL4847893 0.78 MAPK14 (0.51) MAPK14MAPK11MAPK1
SCHEMBL4852870 0.75 FGFR1 (0.38) MAPK14FGFR1MAPK13MAPK12MAPK11
SCHEMBL4852879 0.75 FGFR1 (0.38) MAPK14FGFR1MAPK13MAPK12MAPK11

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.