SCHEMBL7687974

SCHEMBL7687974

CCCc1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
CLK2 P49760 1/20 0.48
CSNK1G1 Q9HCP0 1/20 0.48
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALOX5 P09917 1/20 0.46
CDC7 O00311 4/20 0.45
DBF4 Q9UBU7 4/20 0.45
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
CDK5 Q00535 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
SCHEMBL7691089 0.93 GCGR (0.48) GCGRALDH1A1HPGDHSD17B10CSNK1A1
SCHEMBL7686215 0.89 ALDH1A1 (0.51) GCGRALDH1A1HPGDHSD17B10CSNK1A1
SCHEMBL7690467 0.83 CSNK1A1 (0.60) GCGRHSD17B10CSNK1A1CSNK1DCLK2
SCHEMBL7688692 0.83 CSNK1A1 (0.69) GCGRALDH1A1HPGDHSD17B10CSNK1A1
SCHEMBL7699114 0.78 CSNK1A1 (0.51) GCGRALDH1A1HPGDHSD17B10CSNK1A1
SCHEMBL7696380 0.78 CSNK1A1 (0.62) GCGRALDH1A1HPGDHSD17B10CSNK1A1
SCHEMBL4184780 0.78 CSNK1A1 (0.62) GCGRALDH1A1HPGDHSD17B10CSNK1A1
SCHEMBL7689435 0.78 CSNK1A1 (0.61) GCGRHSD17B10CSNK1A1CSNK1DCLK2
SCHEMBL7691339 0.78 MAPT (0.59) GCGRALDH1A1HPGDHSD17B10CSNK1A1
SCHEMBL7689130 0.77 ALDH1A1 (0.57) GCGRALDH1A1HPGDHSD17B10CDC7

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 1 patent. 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 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 GCGR 1031/4885ALDH1A1 443/4885HPGD 1474/4885

“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.