SCHEMBL7144417

SCHEMBL7144417

Nc1n[nH]cc1S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.52
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MET P08581 1/20 0.43
AKR1B1 P15121 1/20 0.41
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 1/20 0.38

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
SCHEMBL4637602 0.79 HTR6 (0.45) HTR6KDM4EALDH1A1METAKR1B1
SCHEMBL4606513 0.79 HTR6 (0.47) HTR6KDM4EALDH1A1METAKR1B1
SCHEMBL5224094 0.76 NPSR1 (0.45) HTR6KDM4EALDH1A1METAKR1B1
SCHEMBL1928858 0.71 L3MBTL1 (0.35) LMNAPOLB
SCHEMBL17782009 0.71 TTR (0.34) KDM4EALDH1A1
SCHEMBL17730726 0.69 AKR1B1 (0.50) ALDH1A1AKR1B1GAALMNAKMT2A
SCHEMBL27591371 0.69 KDR (0.53) HTR6KDM4EALDH1A1METAKR1B1
SCHEMBL8080841 0.69 HTR6 (0.72) HTR6KDM4EALDH1A1GAAPOLB
SCHEMBL17774701 0.69 HTR6 (0.69) HTR6KDM4EALDH1A1GAAHPGD
SCHEMBL30751995 0.69 HTR6 (1.00) HTR6KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
CN-107108638-A Piperidyl PyrazolopyrimidinonecGMP and application thereof 拜耳制药股份公司 2017-08-29 CN disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
CN-1118468-C Pyrazolopyrimidines and pyrazolotriazines HOFFMANN LA ROCHE (CH) 2003-08-20 CN disclosed
EP-0941994-B1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2003-05-14 EP disclosed
US-6194410-B1 ANTISEROTONINE AGENTS; NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS HOFFMAN-LA ROCHE INC. 2001-02-27 US disclosed
CN-1236780-A Pyrazolopyrimidines and pyrazolotriazines HOFFMANN LA ROCHE (CH) 1999-12-01 CN disclosed
EP-0941994-A1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 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 (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-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 HTR6 307/4885KDM4E 4381/4885ALDH1A1 404/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 HTR6 307/4885KDM4E 4381/4885ALDH1A1 404/4885

“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.