SCHEMBL2563341

SCHEMBL2563341

CSc1nc(-c2ccccc2)c2c(C#N)c[nH]c2n1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.79
CHUK O15111 13/20 0.66
LRRK2 Q5S007 2/20 0.51
IKBKB O14920 9/20 0.50
THRB P10828 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KCNH2 Q12809 1/20 0.46

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 0.88 HSP90AB1 (1.00) HSP90AB1CHUKIKBKBKCNH2
SCHEMBL12161115 0.80 HSP90AB1 (0.68) HSP90AB1CHUKIKBKBKCNH2
SCHEMBL12161196 0.80 HSP90AB1 (0.68) HSP90AB1CHUKIKBKBKCNH2
SCHEMBL2566751 0.78 HSP90AB1 (0.61) HSP90AB1CHUKLRRK2KCNH2
SCHEMBL2563192 0.78 HSP90AB1 (0.65) HSP90AB1CHUKIKBKBKCNH2
SCHEMBL2563404 0.77 HSP90AB1 (1.00) HSP90AB1CHUKLRRK2KCNH2
SCHEMBL31296689 0.77 HSP90AB1 (1.00) HSP90AB1CHUKLRRK2KCNH2
SCHEMBL14421907 0.76 CHUK (0.61) HSP90AB1CHUKLRRK2KCNH2
SCHEMBL12160916 0.76 HSP90AB1 (0.64) HSP90AB1CHUKLRRK2IKBKBKCNH2
SCHEMBL12161192 0.76 HSP90AB1 (0.67) HSP90AB1KCNH2

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 2/4885CHUK 258/4885LRRK2 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.