SCHEMBL7689417

SCHEMBL7689417

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.64
CSNK1D P48730 1/20 0.64
CLK2 P49760 1/20 0.64
CSNK1G1 Q9HCP0 1/20 0.64
GCGR P47871 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK14 Q16539 1/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
GRM6 O15303 1/20 0.42
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
ALOX5 P09917 1/20 0.41
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
PKN1 Q16512 1/20 0.40

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
SCHEMBL7690506 0.92 CSNK1A1 (0.61) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL7688692 0.90 CSNK1A1 (0.69) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL7681279 0.88 CSNK1A1 (0.62) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL4184780 0.85 CSNK1A1 (0.62) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL7696380 0.85 CSNK1A1 (0.62) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL7691339 0.82 MAPT (0.59) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL7689619 0.81 CSNK1A1 (0.61) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL7686242 0.81 CSNK1A1 (0.73) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL7687249 0.80 CSNK1A1 (0.59) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL7685369 0.79 CSNK1A1 (1.00) CSNK1A1CSNK1DCLK2CSNK1G1GCGR

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.