SCHEMBL7685196

SCHEMBL7685196

Cc1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C(=O)OC(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.68
CSNK1D P48730 1/20 0.68
CLK2 P49760 1/20 0.68
CSNK1G1 Q9HCP0 1/20 0.68
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CDC7 O00311 4/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
GCGR P47871 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38

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
SCHEMBL15076886 0.84 CSNK1A1 (0.57) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7686242 0.83 CSNK1A1 (0.73) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7685369 0.81 CSNK1A1 (1.00) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7688692 0.81 CSNK1A1 (0.69) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7690980 0.79 CSNK1A1 (0.68) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
Hydrochloric Acid SCHEMBL7742023 0.78 CSNK1A1 (0.93) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7680958 0.78 CSNK1A1 (0.66) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7689619 0.78 CSNK1A1 (0.61) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7689417 0.77 CSNK1A1 (0.64) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7690508 0.77 CSNK1A1 (0.63) 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.