SCHEMBL7685447

SCHEMBL7685447

CC(=O)c1c(-c2ccc(F)cc2)[nH]c(-c2ccncc2)c1C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 2/20 0.82
CSNK1D P48730 2/20 0.82
CLK2 P49760 1/20 0.82
CSNK1G1 Q9HCP0 1/20 0.82
MAPK14 Q16539 12/20 0.54
GCGR P47871 7/20 0.51
CDC7 O00311 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MAPK13 O15264 4/20 0.47
MAPK12 P53778 4/20 0.47
MAPK11 Q15759 4/20 0.47
ALOX5 P09917 2/20 0.46
TGFBR1 P36897 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
FRK P42685 1/20 0.46
MAPK9 P45984 1/20 0.46
GSK3B P49841 1/20 0.46
PTK6 Q13882 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46

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
SCHEMBL7685369 0.91 CSNK1A1 (1.00) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
Hydrochloric Acid SCHEMBL7742023 0.88 CSNK1A1 (0.93) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL7686704 0.86 CSNK1A1 (0.78) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL7692061 0.85 CSNK1A1 (0.82) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL7681361 0.85 CSNK1D (0.88) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL7692080 0.85 CSNK1D (0.88) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL7691071 0.83 CSNK1A1 (0.68) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL7690496 0.83 CSNK1A1 (0.78) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL7689318 0.83 CSNK1A1 (0.78) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL7687245 0.83 CSNK1A1 (0.78) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049235-A1 3-acetyl-4-methyl-2,5-di(4-pyridyl)-1H-pyrrole, for example; treating cell adhesion molecules (CAMs) mediated diseases such as arthritis, AIDS, septic shock, cachexia, transplant rejection PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 US claimed
EP-0912548-A1 PYRIDYLPYRROLE COMPOUNDS USEFUL AS INTERLEUKIN- AND TNF ANTAGONISTS PFIZER INC. (US) 1999-05-06 EP claimed
WO-1998002430-A1 PYRIDYLPYRROLE COMPOUNDS USEFUL AS INTERLEUKIN- AND TNF ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1998-01-22 WO claimed
US-6417202-B1 3-ACETYL-4-METHYL-2,5-DI(4-PYRIDYL)-1H-PYRROLE, FOR EXAMPLE; TREATING CELL ADHESION MOLECULES (CAMS) MEDIATED DISEASES SUCH AS ARTHRITIS, AIDS, SEPTIC SHOCK, CACHEXIA, TRANSPLANT REJECTION PFIZER INC. 2002-07-09 US disclosed
US-20020049235-A1 3-acetyl-4-methyl-2,5-di(4-pyridyl)-1H-pyrrole, for example; treating cell adhesion molecules (CAMs) mediated diseases such as arthritis, AIDS, septic shock, cachexia, transplant rejection PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 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-20020049235-A1 3-acetyl-4-methyl-2,5-di(4-pyridyl)-1H-pyrrole, for example; treating cell adhesion molecules (CAMs) mediated diseases such as arthritis, AIDS, septic shock, cachexia, transplant rejection ICAM1, VCAM1, CD14 CSNK1A1 2321/4885CSNK1D 2460/4885CLK2 4121/4885

“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.