SCHEMBL6519951

SCHEMBL6519951

CCC(=O)c1c(O)c2cc(Cl)ccc2[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.58
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
KDM4E B2RXH2 1/20 0.52
CSF1R P07333 1/20 0.51
LMNA P02545 1/20 0.48
SERPINE1 P05121 1/20 0.47

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
SCHEMBL23510959 0.84 GRIN2D (0.58) GSK3BMEN1ALDH1A1KMT2AMAPT
SCHEMBL6516714 0.84 GSK3B (0.54) GSK3BMEN1ALDH1A1KMT2AMAPT
SCHEMBL6522334 0.83 GSK3B (0.56) GSK3BMEN1ALDH1A1KMT2AMAPT
SCHEMBL6518138 0.83 GSK3B (0.56) GSK3BMEN1ALDH1A1KMT2AMAPT
SCHEMBL11383585 0.83 CSF1R (0.69) GSK3BALDH1A1CYP1A2CSF1R
SCHEMBL11375916 0.82 KDM4E (0.61) GSK3BMEN1ALDH1A1KMT2AMAPT
SCHEMBL6521717 0.81 GSK3B (0.49) GSK3BMEN1ALDH1A1KMT2AMAPT
SCHEMBL6313673 0.81 GSK3B (0.56) GSK3BMEN1ALDH1A1KMT2AMAPT
SCHEMBL27948877 0.80 KDM4E (0.68) GSK3BMEN1ALDH1A1KMT2AMAPT
SCHEMBL6513990 0.78 GRIN2D (0.52) GSK3BMEN1ALDH1A1KMT2AMAPT

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 GSK3B 824/4885MEN1 1973/4885ALDH1A1 4635/4885

“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.