SCHEMBL7689216

SCHEMBL7689216

CC(=O)c1c(-c2ccncc2)[nH]c(-c2ccncc2)c1CO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 2/20 0.64
CSNK1D P48730 1/20 0.64
CLK2 P49760 1/20 0.64
CSNK1G1 Q9HCP0 1/20 0.64
CDK8 P49336 3/20 0.41
CCNC P24863 2/20 0.41
AURKB Q96GD4 2/20 0.40
AURKA O14965 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
FYN P06241 1/20 0.40
RET P07949 1/20 0.40
LTK P29376 1/20 0.40
KDR P35968 1/20 0.40
MAPK8 P45983 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 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
SCHEMBL7682924 0.87 CSNK1A1 (0.64) CSNK1A1CSNK1DCLK2CSNK1G1CDK8
SCHEMBL7690467 0.84 CSNK1A1 (0.60) CSNK1A1CSNK1DCLK2CSNK1G1CDK8
SCHEMBL7682958 0.83 CSNK1A1 (0.59) CSNK1A1CSNK1DCLK2CSNK1G1CDK8
SCHEMBL7689435 0.82 CSNK1A1 (0.61) CSNK1A1CSNK1DCLK2CSNK1G1CDK8
SCHEMBL7680927 0.78 CSNK1A1 (0.56) CSNK1A1CSNK1DCLK2CSNK1G1CDK8
SCHEMBL7685369 0.78 CSNK1A1 (1.00) CSNK1A1CSNK1DCLK2CSNK1G1CDK8
SCHEMBL7682818 0.77 CSNK1A1 (0.72) CSNK1A1CSNK1DCLK2CSNK1G1CDK8
SCHEMBL7694078 0.75 CSNK1A1 (0.66) CSNK1A1CSNK1DCLK2CSNK1G1CDK8
Hydrochloric Acid SCHEMBL7742023 0.75 CSNK1A1 (0.93) CSNK1A1CSNK1DCLK2CSNK1G1CDK8
SCHEMBL15076920 0.73 CSNK1A1 (0.50) CSNK1A1CSNK1DCLK2CSNK1G1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
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 (2 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B CSNK1A1 2764/4885CSNK1D 2846/4885CLK2 3605/4885
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.