SCHEMBL2568036

SCHEMBL2568036

COc1ccc(-c2nc(OCCN3CCC(F)(F)CC3)nc3[nH]cc(C#N)c23)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 8/20 0.55
KCNH2 Q12809 1/20 0.43
LRRK2 Q5S007 1/20 0.41
MAP4K1 Q92918 1/20 0.39
HTR2C P28335 1/20 0.38
KIT P10721 1/20 0.38
PRKCQ Q04759 2/20 0.38
NSD2 O96028 1/20 0.37
SRC P12931 2/20 0.37
DYRK1A Q13627 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CHUK O15111 2/20 0.37

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
SCHEMBL2568902 0.96 HSP90AB1 (0.61) HSP90AB1KCNH2LRRK2MAP4K1HTR2C
SCHEMBL2563853 0.87 HSP90AB1 (0.60) HSP90AB1KCNH2LRRK2MAP4K1KIT
SCHEMBL2563850 0.87 HSP90AB1 (0.60) HSP90AB1KCNH2LRRK2MAP4K1KIT
SCHEMBL2564918 0.86 HSP90AB1 (0.73) HSP90AB1KCNH2SRCHSP90AA1
SCHEMBL12161188 0.82 HSP90AB1 (0.80) HSP90AB1KCNH2NSD2SRCHSP90AA1
SCHEMBL2565242 0.81 HSP90AB1 (0.63) HSP90AB1KCNH2NSD2SRCDYRK1A
SCHEMBL12161119 0.81 HSP90AB1 (0.69) HSP90AB1KCNH2DYRK1AHSP90AA1CHUK
SCHEMBL13798717 0.76 HSP90AB1 (0.72) HSP90AB1KCNH2SRCHSP90AA1
SCHEMBL12161118 0.76 HSP90AB1 (0.92) HSP90AB1KCNH2SRCHSP90AA1
SCHEMBL12161025 0.76 HSP90AB1 (0.68) HSP90AB1KCNH2HSP90AA1

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.