SCHEMBL16962995

SCHEMBL16962995

O=C1CCC(=S)Nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
PDGFRA P16234 1/20 0.44
FER P16591 1/20 0.44
LTK P29376 1/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.42
MAPK1 P28482 2/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
HK1 P19367 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1185391 0.80 NPC1 (0.59) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL16963507 0.75 TGM2 (0.50) LRRK2MEN1MAPTKMT2AHSP90AA1
SCHEMBL7438461 0.73 MAPT (0.61) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL5525094 0.73 MAPT (0.56) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL21311994 0.73 LRRK2 (0.58) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL7404124 0.72 CA12 (0.55) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL16963878 0.72 PDE3B (0.61) LRRK2MAOAMAOBKDM4EMEN1
SCHEMBL88725 0.71 MEN1 (0.65) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL855431 0.71 MAOA (0.56) MAOAMAOBKDM4EMEN1MAPT
SCHEMBL29385474 0.71 MAOA (0.56) MAOAMAOBKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663523-B2 BET protein-inhibiting 5-aryltriazoleazepines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
US-9663523-B2 BET protein-inhibiting 5-aryltriazoleazepines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
US-9663523-B2 BET protein-inhibiting 5-aryltriazoleazepines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
EP-2900672-B1 BET-PROTEIN INHIBITORY 5-ARYL-TRIAZOLO-AZEPINES Bayer Pharma AG (DE) 2017-02-22 EP disclosed
EP-2900672-B1 BET-PROTEIN INHIBITORY 5-ARYL-TRIAZOLO-AZEPINES Bayer Pharma AG (DE) 2017-02-22 EP disclosed
US-20150299201-A1 BET PROTEIN-INHIBITING 5-ARYL TRIAZOLE AZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-22 US disclosed
US-20150299201-A1 BET PROTEIN-INHIBITING 5-ARYL TRIAZOLE AZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-22 US disclosed
US-20150299201-A1 BET PROTEIN-INHIBITING 5-ARYL TRIAZOLE AZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-22 US disclosed
EP-2900672-A1 BET PROTEIN-INHIBITING 5-ARYL TRIAZOLE AZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-08-05 EP 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-20150299201-A1 BET PROTEIN-INHIBITING 5-ARYL TRIAZOLE AZEPINES BRD4, BRDT, BET1 LRRK2 768/4885MAOA 4579/4885MAOB 4387/4885

“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.