SCHEMBL7680958

SCHEMBL7680958

COC(=O)c1c(-c2ccccc2)[nH]c(-c2ccncc2)c1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.66
CSNK1D P48730 1/20 0.66
CLK2 P49760 1/20 0.66
CSNK1G1 Q9HCP0 1/20 0.66
RAF1 P04049 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
MAPK14 Q16539 1/20 0.46
GRM6 O15303 1/20 0.45
GRM5 P41594 1/20 0.45
CDC7 O00311 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
TUBB4A P04350 1/20 0.43

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
SCHEMBL7686242 0.94 CSNK1A1 (0.73) CSNK1A1CSNK1DCLK2CSNK1G1RAF1
SCHEMBL14995008 0.91 SMN1; SMN2 (0.63) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7681361 0.87 CSNK1D (0.88) CSNK1A1CSNK1DCLK2CSNK1G1RAF1
SCHEMBL7692080 0.87 CSNK1D (0.88) CSNK1A1CSNK1DCLK2CSNK1G1RAF1
SCHEMBL4184780 0.86 CSNK1A1 (0.62) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7696380 0.86 CSNK1A1 (0.62) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL12337834 0.83 CSNK1D (0.61) CSNK1A1CSNK1DCLK2CSNK1G1RAF1
SCHEMBL7691925 0.82 CSNK1A1 (0.65) CSNK1A1CSNK1DCLK2CSNK1G1RAF1
SCHEMBL4184700 0.82 CSNK1D (0.65) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7691921 0.82 CSNK1A1 (0.74) CSNK1A1CSNK1DCLK2CSNK1G1RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.