SCHEMBL3077043

SCHEMBL3077043

CCc1cc(-c2n[nH]c(C(=O)O)c2-c2ccc(OC)cc2)c(O)cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 15/20 0.74
HSP90AB1 P08238 3/20 0.66
PIM1 P11309 2/20 0.61
ROCK2 O75116 1/20 0.61
PRKD3 O94806 1/20 0.61
CSF1R P07333 1/20 0.61
CDK2 P24941 1/20 0.61
RPS6KA3 P51812 1/20 0.61
ROCK1 Q13464 1/20 0.61
PRKD2 Q9BZL6 1/20 0.61
GAA P10253 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
GPR35 Q9HC97 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4397663 0.85 HSP90AA1 (1.00) HSP90AA1HSP90AB1PIM1ROCK2PRKD3
SCHEMBL3087262 0.82 HSP90AA1 (0.64) HSP90AA1HSP90AB1PIM1ROCK2PRKD3
SCHEMBL4993083 0.80 HSP90AA1 (1.00) HSP90AA1HSP90AB1PIM1GAAMEN1
SCHEMBL30583164 0.80 HSP90AA1 (1.00) HSP90AA1HSP90AB1PIM1GAAMEN1
SCHEMBL3090606 0.79 HSP90AA1 (0.59) HSP90AA1HSP90AB1PIM1ROCK2PRKD3
SCHEMBL23870500 0.77 HSP90AA1 (0.80) HSP90AA1HSP90AB1PIM1ROCK2PRKD3
SCHEMBL14396113 0.76 MEN1 (0.61) HSP90AA1HSP90AB1PIM1ROCK2PRKD3
SCHEMBL2684425 0.76 HSP90AA1 (1.00) HSP90AA1HSP90AB1PIM1ROCK2PRKD3
SCHEMBL5274491 0.76 HSP90AA1 (1.00) HSP90AA1HSP90AB1PIM1ROCK2PRKD3
SCHEMBL5269011 0.74 HSP90AA1 (0.85) HSP90AA1HSP90AB1PIM1ROCK2PRKD3

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
EP-2109612-B1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2010-11-10 EP disclosed
US-7799781-B2 5,6,7,8-tetrahydropteridine derivatives as HSP90 inhibitors ASTRAZENECA AB (SE) 2010-09-21 US disclosed
EP-2109612-A2 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS AstraZeneca AB (SE) 2009-10-21 EP disclosed
US-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2008-08-14 US disclosed
WO-2008093075-A2 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2008-08-07 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-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS HSP90AA1, HSP90AB1, HSP90AB2P HSP90AA1 1/4885HSP90AB1 2/4885PIM1 3133/4885

“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.