SCHEMBL1078262

SCHEMBL1078262

Cc1cc(CN2C(=O)Cc3c(Cl)nc(N)nc32)nn1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.57
TRAP1 Q12931 9/20 0.57
HSP90B1 P14625 7/20 0.57
HSP90AB1 P08238 6/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
BCHE P06276 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
PPP1CA P62136 1/20 0.30
KMT2A Q03164 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
SCHEMBL1083386 0.81 TRAP1 (0.57) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL1057826 0.81 TRAP1 (0.59) HSP90AA1TRAP1HSP90B1KDM4EMAPT
SCHEMBL1079346 0.79 HSP90AA1 (0.60) HSP90AA1TRAP1HSP90B1HSP90AB1KDM4E
SCHEMBL1060933 0.79 HSP90AA1 (0.56) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL1059052 0.76 HSP90AA1 (0.59) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL1059577 0.74 TRAP1 (0.59) HSP90AA1TRAP1HSP90B1ALDH1A1MEN1
SCHEMBL12615628 0.74 HSP90AA1 (0.59) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL1054540 0.73 TRAP1 (0.57) HSP90AA1TRAP1HSP90B1HSP90AB1KDM4E
SCHEMBL1052264 0.73 TRAP1 (0.73) HSP90AA1TRAP1HSP90B1KDM4EMAPT
SCHEMBL1059998 0.71 TRAP1 (0.54) HSP90AA1TRAP1HSP90B1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 HSP90AA1 1418/4885TRAP1 443/4885HSP90B1 1036/4885

“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.