SCHEMBL105064

SCHEMBL105064

CC(C)(C)OC(=O)Nc1cc(Cl)nn2cnnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.45
BRD4 O60885 6/20 0.41
IDO1 P14902 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
CREBBP Q92793 1/20 0.36
ATR Q13535 1/20 0.36
METAP1 P53582 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
LMNA P02545 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL20160415 0.82 ALDH1A1 (0.46) BRD9BRD4BRD2CREBBPKDM4E
SCHEMBL140145 0.81 KDM4E (0.39) KDM4EMAPTTNKSTNKS2LMNA
SCHEMBL2988046 0.80 BRD9 (0.42) BRD9BRD4IDO1RXFP1ATR
SCHEMBL16259909 0.77 BRD9 (0.68) BRD9BRD4BRD2BRD3CREBBP
SCHEMBL21224291 0.73 BRD9 (0.42) BRD9BRD4IDO1RXFP1METAP1
SCHEMBL21354900 0.72 BRD9 (0.39) BRD9BRD4RXFP1P2RX7KDM4E
SCHEMBL29602020 0.72 ATR (0.45) BRD9BRD4RXFP1ATRMETAP1
SCHEMBL926280 0.72 ATR (0.45) BRD9BRD4RXFP1ATRMETAP1
SCHEMBL5057070 0.71 KMT2A (0.41) KDM4EMAPTLMNAABL1
SCHEMBL31021950 0.71 LMNA (0.43) BRD9BRD4ATRLMNA

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-2460805-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION Oncotherapy Science, Inc. (JP) 2012-06-06 EP disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
WO-2011013729-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION オンコセラピー・サイエンス株式会社 (JP) 2011-02-03 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 BRD9 1287/4885BRD4 1152/4885IDO1 3443/4885

“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.