SCHEMBL7689418

SCHEMBL7689418

O=C1CCCc2c(-c3ccncc3)[nH]c(-c3ccccc3)c21

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.65
BUB1 O43683 6/20 0.56
ALDH1A1 P00352 1/20 0.47
MAPK10 P53779 1/20 0.47
CREBBP Q92793 1/20 0.44
PKN1 Q16512 1/20 0.43
PKN2 Q16513 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
SCHEMBL7692229 1.00 BRD4 (0.65) BRD4BUB1ALDH1A1MAPK10CREBBP
SCHEMBL15328755 0.79 BRD4 (1.00) BRD4CREBBP
SCHEMBL7685336 0.79 BRD4 (0.68) BRD4CREBBP
SCHEMBL7683100 0.79 BRD4 (0.60) BRD4BUB1
SCHEMBL24263871 0.76 BRD4 (0.94) BRD4CREBBP
SCHEMBL6992970 0.75 BRD4 (0.56) BRD4ALDH1A1MAPK10
SCHEMBL17372469 0.72 BUB1 (1.00) BUB1
SCHEMBL6993952 0.71 HSD11B1 (0.59) BRD4
SCHEMBL7690471 0.71 CDC7 (0.66) BRD4BUB1PKN1PKN2
SCHEMBL18481384 0.70 BUB1 (0.95) 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 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 BRD4 2455/4885BUB1 1831/4885ALDH1A1 443/4885

“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.