SCHEMBL3517738

SCHEMBL3517738

Cc1cc(Br)c(Sc2nc3c(N)ncnc3[nH]2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.40
HSP90AB1 P08238 8/20 0.40
ERBB2 P04626 3/20 0.40
NUDT1 P36639 1/20 0.35
ADORA2A P29274 4/20 0.34
ADORA1 P30542 4/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
ADORA2B P29275 3/20 0.33
MAP4K4 O95819 2/20 0.33
ADORA3 P0DMS8 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL13050401 0.88 HSP90AA1 (0.42) HSP90AA1HSP90AB1ERBB2NUDT1ADORA2A
SCHEMBL3124057 0.85 HSP90AA1 (0.38) HSP90AA1HSP90AB1ERBB2NUDT1
SCHEMBL3125128 0.84 HSP90AA1 (0.40) HSP90AA1HSP90AB1ERBB2ADORA2AADORA1
SCHEMBL3517145 0.81 HSP90AA1 (0.42) HSP90AA1HSP90AB1ERBB2ADORA2AADORA1
SCHEMBL3748288 0.81 HSP90AA1 (0.44) HSP90AA1HSP90AB1ERBB2ADORA2AADORA1
SCHEMBL3116014 0.80 HSP90AA1 (0.44) HSP90AA1HSP90AB1ERBB2HDAC3HDAC4
SCHEMBL1858420 0.80 HSP90AA1 (0.50) HSP90AA1HSP90AB1ERBB2HDAC3HDAC4
SCHEMBL3750034 0.79 HSP90AA1 (0.38) HSP90AA1HSP90AB1ERBB2ADORA2AADORA1
SCHEMBL16487461 0.79 HSP90B1 (0.47) HSP90AA1HSP90AB1ERBB2NUDT1LMNA
SCHEMBL11980432 0.78 MAP4K4 (0.42) HSP90AA1HSP90AB1ERBB2NUDT1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
EP-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR HSP90AA1 659/4885HSP90AB1 501/4885ERBB2 802/4885

“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.