SCHEMBL7690471

SCHEMBL7690471

Cc1c(-c2ccncc2)[nH]c2c1C(=O)CCC2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.66
BUB1 O43683 13/20 0.60
PKN1 Q16512 1/20 0.50
PKN2 Q16513 1/20 0.50
PTK2 Q05397 1/20 0.47
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
CLK2 P49760 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
BRD4 O60885 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4771586 0.79 CDC7 (1.00) CDC7BUB1PKN1PKN2CSNK1A1
SCHEMBL7680905 0.78 BUB1 (0.62) CDC7BUB1
SCHEMBL7689906 0.78 CDC7 (0.57) CDC7BUB1CSNK1A1CSNK1DCLK2
Hydrochloric Acid SCHEMBL4772983 0.78 CDC7 (0.97) CDC7BUB1PKN1PKN2CSNK1A1
SCHEMBL7684925 0.77 BUB1 (0.65) BUB1
SCHEMBL7689479 0.76 CDC7 (0.61) CDC7BUB1CSNK1A1CSNK1DCLK2
SCHEMBL17372469 0.75 BUB1 (1.00) BUB1
SCHEMBL7685046 0.73 CDC7 (0.51) CDC7BUB1CSNK1A1CSNK1DCLK2
SCHEMBL17372340 0.73 BUB1 (1.00) BUB1
SCHEMBL17371905 0.72 BUB1 (1.00) BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0912548-A1 PYRIDYLPYRROLE COMPOUNDS USEFUL AS INTERLEUKIN- AND TNF ANTAGONISTS PFIZER INC. (US) 1999-05-06 EP claimed
WO-1998002430-A1 PYRIDYLPYRROLE COMPOUNDS USEFUL AS INTERLEUKIN- AND TNF ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1998-01-22 WO claimed
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 CDC7 2195/4885BUB1 1831/4885PKN1 1331/4885

“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.