SCHEMBL7690496

SCHEMBL7690496

CSc1ccc(-c2[nH]c(-c3ccncc3)c(C)c2C(C)=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 2/20 0.78
CSNK1D P48730 2/20 0.78
CLK2 P49760 1/20 0.78
CSNK1G1 Q9HCP0 1/20 0.78
ALOX5 P09917 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK14 Q16539 6/20 0.45
GCGR P47871 4/20 0.45
MAPK13 O15264 4/20 0.45
MAPK12 P53778 4/20 0.45
MAPK11 Q15759 4/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
LCK P06239 1/20 0.45
RET P07949 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MATK P42679 1/20 0.45
FRK P42685 1/20 0.45
MAPK9 P45984 1/20 0.45

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 0.88 CSNK1A1 (1.00) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
Hydrochloric Acid SCHEMBL7742023 0.85 CSNK1A1 (0.93) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7685447 0.83 CSNK1A1 (0.82) CSNK1A1CSNK1DCLK2CSNK1G1ALOX5
SCHEMBL7692061 0.83 CSNK1A1 (0.82) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7692080 0.82 CSNK1D (0.88) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7681361 0.82 CSNK1D (0.88) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7689318 0.81 CSNK1A1 (0.78) CSNK1A1CSNK1DCLK2CSNK1G1ALOX5
SCHEMBL7687245 0.81 CSNK1A1 (0.78) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7686704 0.81 CSNK1A1 (0.78) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7687649 0.79 CSNK1A1 (0.81) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2

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.