SCHEMBL2563404

SCHEMBL2563404

CSc1nc(-c2ccc(C)cc2C)c2c(C#N)c[nH]c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 15/20 1.00
KCNH2 Q12809 2/20 0.49
LRRK2 Q5S007 3/20 0.45
HSP90AA1 P07900 1/20 0.43
CHUK O15111 2/20 0.41

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
SCHEMBL31296689 1.00 HSP90AB1 (1.00) HSP90AB1KCNH2LRRK2HSP90AA1CHUK
SCHEMBL2564826 0.89 HSP90AB1 (1.00) HSP90AB1KCNH2HSP90AA1CHUK
SCHEMBL2570481 0.86 HSP90AB1 (0.76) HSP90AB1KCNH2
SCHEMBL2568064 0.83 HSP90AB1 (0.71) HSP90AB1LRRK2HSP90AA1CHUK
SCHEMBL2565357 0.82 HSP90AB1 (0.69) HSP90AB1KCNH2
SCHEMBL12161192 0.81 HSP90AB1 (0.67) HSP90AB1KCNH2HSP90AA1
SCHEMBL2563188 0.79 HSP90AB1 (1.00) HSP90AB1KCNH2LRRK2
SCHEMBL2564877 0.78 HSP90AB1 (0.64) HSP90AB1KCNH2
SCHEMBL2562516 0.78 HSP90AB1 (1.00) HSP90AB1LRRK2CHUK
SCHEMBL2563341 0.77 HSP90AB1 (0.79) HSP90AB1KCNH2LRRK2CHUK

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 2202/4885LRRK2 2864/4885

“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.