SCHEMBL2563192

SCHEMBL2563192

CSc1nc(-c2ccc3c(c2)OCCO3)c2c(C#N)c[nH]c2n1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.65
KCNH2 Q12809 2/20 0.43
CHUK O15111 13/20 0.42
IKBKB O14920 9/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2568353 0.79 HSP90AB1 (1.00) HSP90AB1KCNH2CHUKIKBKB
SCHEMBL12161115 0.78 HSP90AB1 (0.68) HSP90AB1KCNH2CHUKIKBKB
SCHEMBL12161196 0.78 HSP90AB1 (0.68) HSP90AB1KCNH2CHUKIKBKBKDM4E
SCHEMBL2563341 0.78 HSP90AB1 (0.79) HSP90AB1KCNH2CHUKIKBKB
SCHEMBL13798718 0.76 HSP90AB1 (0.57) HSP90AB1KCNH2MEN1MAPTKMT2A
SCHEMBL2563404 0.71 HSP90AB1 (1.00) HSP90AB1KCNH2CHUK
SCHEMBL31296689 0.71 HSP90AB1 (1.00) HSP90AB1KCNH2CHUK
SCHEMBL12161192 0.70 HSP90AB1 (0.67) HSP90AB1KCNH2
SCHEMBL2564826 0.70 HSP90AB1 (1.00) HSP90AB1KCNH2CHUK
SCHEMBL11937879 0.69 MAPT (0.52) KDM4EMEN1NPC1MAPTTSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007767-B1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS R&D LTD (GB) 2011-11-02 EP disclosed
EP-2007767-B1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS R&D LTD (GB) 2011-11-02 EP disclosed
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 US disclosed
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 US disclosed
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 US disclosed
EP-2007767-A1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS (R&D) LTD (GB) 2008-12-31 EP disclosed
WO-2007104944-A1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS (R & D) LTD. (GB) 2007-09-20 WO disclosed
WO-2007104944-A1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS (R & D) LTD. (GB) 2007-09-20 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-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors HSP90AA1, HSP90AB1, RAF1 HSP90AB1 2/4885KCNH2 2202/4885CHUK 258/4885

“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.