SCHEMBL7689435

SCHEMBL7689435

CCCCc1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 2/20 0.61
CSNK1D P48730 1/20 0.61
CLK2 P49760 1/20 0.61
CSNK1G1 Q9HCP0 1/20 0.61
GSK3B P49841 6/20 0.44
GSK3A P49840 5/20 0.44
CCNB2 O95067 4/20 0.44
CDK1 P06493 4/20 0.44
CCNB1 P14635 4/20 0.44
CCNB3 Q8WWL7 4/20 0.44
CDK5 Q00535 3/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
CDK5R1 Q15078 2/20 0.44
MAPK8 P45983 2/20 0.44
CCNE2 O96020 1/20 0.44
INSR P06213 1/20 0.44
CFTR P13569 1/20 0.44
CCNA2 P20248 1/20 0.44
MAPK3 P27361 1/20 0.44

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
SCHEMBL7690467 0.91 CSNK1A1 (0.60) CSNK1A1CSNK1DCLK2CSNK1G1GSK3B
SCHEMBL7682924 0.85 CSNK1A1 (0.64) CSNK1A1CSNK1DCLK2CSNK1G1GSK3B
SCHEMBL7691089 0.85 GCGR (0.48) CSNK1A1CSNK1DCLK2CSNK1G1GSK3B
SCHEMBL7689216 0.82 CSNK1A1 (0.64) CSNK1A1CSNK1DCLK2CSNK1G1GSK3B
SCHEMBL7682958 0.78 CSNK1A1 (0.59) CSNK1A1CSNK1DCLK2CSNK1G1GSK3B
SCHEMBL7687974 0.78 GCGR (0.49) CSNK1A1CSNK1DCLK2CSNK1G1CDK5
SCHEMBL7685369 0.77 CSNK1A1 (1.00) CSNK1A1CSNK1DCLK2CSNK1G1CDK2
SCHEMBL7689430 0.74 CSNK1A1 (0.61) CSNK1A1CSNK1DCLK2CSNK1G1GSK3B
Hydrochloric Acid SCHEMBL7742023 0.74 CSNK1A1 (0.93) CSNK1A1CSNK1DCLK2CSNK1G1CDK2
SCHEMBL7690506 0.74 CSNK1A1 (0.61) CSNK1A1CSNK1DCLK2CSNK1G1MAPK1

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.