SCHEMBL10274469

SCHEMBL10274469

CCCn1nc(C(=O)NC)cc1C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.63
AURKA O14965 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CNR1 P21554 6/20 0.47
CNR2 P34972 6/20 0.47
PTGER1 P34995 1/20 0.44
EPHX2 P34913 2/20 0.42
MALT1 Q9UDY8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMPD1 P17405 1/20 0.39

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
SCHEMBL10274855 0.87 AURKA (0.64) BAZ2BAURKARPS6KB1CNR1CNR2
SCHEMBL10274471 0.81 AURKA (0.47) AURKARPS6KB1PTGER1EPHX2KDM4E
SCHEMBL1899554 0.80 CNR1 (0.43) BAZ2BAURKARPS6KB1CNR1CNR2
SCHEMBL10274481 0.80 L3MBTL1 (0.45) BAZ2BAURKARPS6KB1CNR1CNR2
SCHEMBL10275023 0.78 BAZ2B (0.55) BAZ2BAURKARPS6KB1CNR1CNR2
SCHEMBL10274468 0.78 BAZ2B (0.55) BAZ2BAURKARPS6KB1PTGER1MALT1
SCHEMBL8568625 0.78 BAZ2B (1.00) BAZ2BMALT1MEN1KMT2ABRD4
SCHEMBL12050045 0.77 CYP1A2 (0.45) AURKARPS6KB1EPHX2KMT2AKDM4E
SCHEMBL1902703 0.77 AURKA (0.39) BAZ2BAURKARPS6KB1CNR1CNR2
SCHEMBL20344448 0.76 KMT2A (0.69) BAZ2BAURKARPS6KB1PTGER1MALT1

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
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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 (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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 BAZ2B 1106/4885AURKA 1809/4885RPS6KB1 958/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 BAZ2B 1106/4885AURKA 1809/4885RPS6KB1 958/4885

“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.