SCHEMBL7683020

SCHEMBL7683020

Cc1c(Br)[nH]c2c1C(=O)CCC2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.57
TSHR P16473 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
DYRK1A Q13627 1/20 0.38
BRD4 O60885 6/20 0.35
EHMT2 Q96KQ7 1/20 0.33
BUB1 O43683 3/20 0.33

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
SCHEMBL934852 0.80 PTK2 (0.61) PTK2TSHRL3MBTL1LMNARAB9A
SCHEMBL31471496 0.80 PTK2 (0.43) PTK2TSHRL3MBTL1LMNARAB9A
SCHEMBL9802964 0.78 PTK2 (0.59) PTK2TSHRL3MBTL1LMNARAB9A
SCHEMBL15592920 0.74 PTK2 (0.54) PTK2TSHRL3MBTL1LMNARAB9A
SCHEMBL2077313 0.73 PTK2 (1.00) PTK2TSHRL3MBTL1LMNARAB9A
SCHEMBL7386800 0.73 PTK2 (0.53) PTK2TSHRL3MBTL1LMNARAB9A
SCHEMBL7685057 0.70 PARP1 (0.33)
SCHEMBL21895146 0.69 PTK2 (0.41) PTK2TSHRL3MBTL1LMNARAB9A
SCHEMBL15328691 0.69 BRD4 (0.53) BRD4
SCHEMBL9802765 0.68 PTK2 (0.47) PTK2TSHRL3MBTL1LMNAALDH1A1

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 4 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
EP-0912548-A1 PYRIDYLPYRROLE COMPOUNDS USEFUL AS INTERLEUKIN- AND TNF ANTAGONISTS PFIZER INC. (US) 1999-05-06 EP disclosed
WO-1998002430-A1 PYRIDYLPYRROLE COMPOUNDS USEFUL AS INTERLEUKIN- AND TNF ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1998-01-22 WO 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 PTK2 8/4885TSHR 2363/4885L3MBTL1 788/4885

“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.