SCHEMBL7682958

SCHEMBL7682958

COCc1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 2/20 0.59
CSNK1D P48730 1/20 0.59
CLK2 P49760 1/20 0.59
CSNK1G1 Q9HCP0 1/20 0.59
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
CDC7 O00311 3/20 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
SCHEMBL7686768 0.87 CSNK1A1 (0.47) CSNK1A1CSNK1DCLK2CSNK1G1TUBB4A
SCHEMBL7682924 0.83 CSNK1A1 (0.64) CSNK1A1CSNK1DCLK2CSNK1G1CDC7
SCHEMBL7689216 0.83 CSNK1A1 (0.64) CSNK1A1CSNK1DCLK2CSNK1G1TUBB4A
SCHEMBL7690467 0.81 CSNK1A1 (0.60) CSNK1A1CSNK1DCLK2CSNK1G1CDC7
SCHEMBL7689435 0.78 CSNK1A1 (0.61) CSNK1A1CSNK1DCLK2CSNK1G1CDC7
SCHEMBL7685369 0.74 CSNK1A1 (1.00) CSNK1A1CSNK1DCLK2CSNK1G1TUBB4A
Hydrochloric Acid SCHEMBL7742023 0.72 CSNK1A1 (0.93) CSNK1A1CSNK1DCLK2CSNK1G1CDC7
SCHEMBL7694078 0.72 CSNK1A1 (0.66) CSNK1A1CSNK1DCLK2CSNK1G1TUBB4A
SCHEMBL7689318 0.71 CSNK1A1 (0.78) CSNK1A1CSNK1DCLK2CSNK1G1CDC7
SCHEMBL7686242 0.71 CSNK1A1 (0.73) CSNK1A1CSNK1DCLK2CSNK1G1TUBB4A

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.