SCHEMBL3393978

SCHEMBL3393978

Cc1cnc(C(=O)n2ccc3c(Cl)nc(NC(=O)C(C)(C)C)nc32)c(C)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA1 P30542 2/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
PDGFRB P09619 1/20 0.31
EGFR P00533 1/20 0.30
KDR P35968 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL3393554 0.90 MEN1 (0.34) HSP90AA1MEN1KMT2AADORA1FGFR1
SCHEMBL3391745 0.90 HSP90AA1 (0.43) HSP90AA1MEN1KMT2AADORA1FGFR1
SCHEMBL3395786 0.81 HSP90AA1 (0.57) HSP90AA1SLC22A12
SCHEMBL3395989 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL14453464 0.80 HSP90AA1 (0.65) HSP90AA1MEN1KMT2A
SCHEMBL3396845 0.73 HSP90AA1 (0.67) HSP90AA1
SCHEMBL3395839 0.72 HSP90AA1 (0.47) HSP90AA1
SCHEMBL3425596 0.72 MEN1 (0.31) MEN1KMT2A
SCHEMBL3397067 0.71 HSP90AA1 (0.35) HSP90AA1MEN1KMT2AKDR
SCHEMBL3395599 0.71 HSP90AA1 (0.47) HSP90AA1SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-7138402-B2 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
US-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-19 US 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 (2 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-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885MEN1 4106/4885KMT2A 3946/4885
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885MEN1 4106/4885KMT2A 3946/4885

“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.