SCHEMBL12062262

SCHEMBL12062262

Cc1ccnc(NC(=O)CN)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPK10 P53779 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
MAPK8 P45983 1/20 0.57
GSK3A P49840 1/20 0.57
HIPK1 Q86Z02 1/20 0.57
RIOK2 Q9BVS4 1/20 0.57
SNRK Q9NRH2 1/20 0.57
PKM P14618 1/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL5197796 0.87 MAPT (0.60) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL13922914 0.85 RAB9A (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL8240613 0.85 RAB9A (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL12461473 0.85 RAB9A (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL1431669 0.83 RAB9A (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL22281368 0.83 POLB (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL30440556 0.83 RAB9A (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL13922820 0.82 RAB9A (0.64) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL10276551 0.81 SMN1; SMN2 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL9749752 0.81 NR3C2 (0.64) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1

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-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-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-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP 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 (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-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 ALDH1A1 408/4885RAB9A 1250/4885SMN1; SMN2 311/4885

“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.