SCHEMBL7691925

SCHEMBL7691925

COC(=O)c1ccccc1-c1[nH]c(-c2ccncc2)c(C)c1C(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.65
CSNK1D P48730 1/20 0.65
CLK2 P49760 1/20 0.65
CSNK1G1 Q9HCP0 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.45
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
CYP46A1 Q9Y6A2 1/20 0.44
SLC6A3 Q01959 4/20 0.43
ALDH1A1 P00352 3/20 0.42
RAF1 P04049 1/20 0.42
SLC6A4 P31645 3/20 0.41
AXL P30530 1/20 0.40
SLC6A2 P23975 1/20 0.40
CDC7 O00311 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 1/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
LMNA P02545 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
SCHEMBL7680958 0.82 CSNK1A1 (0.66) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7686242 0.82 CSNK1A1 (0.73) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7691921 0.82 CSNK1A1 (0.74) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7681361 0.81 CSNK1D (0.88) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7692080 0.81 CSNK1D (0.88) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7685369 0.81 CSNK1A1 (1.00) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7684541 0.81 CSNK1D (0.72) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7691007 0.79 CSNK1D (0.68) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
Hydrochloric Acid SCHEMBL7742023 0.78 CSNK1A1 (0.93) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL27598660 0.77 SLC6A3 (0.66) PKN1PKN2CYP46A1SLC6A3ALDH1A1

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
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
EP-0912548-A1 PYRIDYLPYRROLE COMPOUNDS USEFUL AS INTERLEUKIN- AND TNF ANTAGONISTS PFIZER INC. (US) 1999-05-06 EP disclosed
WO-1998002430-A1 PYRIDYLPYRROLE COMPOUNDS USEFUL AS INTERLEUKIN- AND TNF ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1998-01-22 WO 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.