SCHEMBL6884437

SCHEMBL6884437

CNC(=O)c1cc(C)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.46
MMP13 P45452 4/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL2670750 0.82 BAZ2B (0.44) BAZ2BMMP13ALDH1A1HSD17B10MAPT
SCHEMBL23881497 0.82 P2RX7 (0.50) MMP13ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL25692504 0.79 MMP13 (0.48) MMP13ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL15829940 0.78 BAZ2B (0.41) BAZ2BMMP13ALDH1A1HSD17B10MAPT
SCHEMBL15830544 0.78 L3MBTL1 (0.42) BAZ2BMMP13ALDH1A1HSD17B10MAPT
SCHEMBL882667 0.77 ALDH1A1 (0.39) MMP13ALDH1A1HSD17B10MAPTCYP1A2
SCHEMBL1671322 0.77 KMO (0.50) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL2054682 0.76 MAPK1 (0.43) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL11960328 0.76 BRD4 (0.39) BAZ2BMMP13ALDH1A1HSD17B10MAPT
SCHEMBL31224012 0.76 BAZ2B (0.39) BAZ2BMMP13ALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119528909-A Bisheterocyclic derivative for inhibiting WRN helicase, pharmaceutical composition containing bisheterocyclic derivative and application of bisheterocyclic derivative 上海科恩泰生物医药科技有限公司 2025-02-28 CN disclosed
US-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
EP-2640722-B1 PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS HOFFMANN LA ROCHE (CH) 2015-11-04 EP disclosed
WO-2015091584-A1 THIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS TYK2 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 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-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 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
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-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-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
EP-1373210-A1 HETEROCYCLIC DIAMIDE INVERTEBRATE PEST CONTROL AGENTS E. I. du Pont de Nemours and Company (US) 2004-01-02 EP disclosed
WO-2002070483-A1 HETEROCYCLIC DIAMIDE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-12 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 (6 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 BAZ2B 864/4885MMP13 4353/4885ALDH1A1 4161/4885
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 BAZ2B 3419/4885MMP13 4573/4885ALDH1A1 1091/4885
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 BAZ2B 1106/4885MMP13 4823/4885ALDH1A1 408/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 BAZ2B 1106/4885MMP13 4823/4885ALDH1A1 408/4885
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R BAZ2B 1759/4885MMP13 3765/4885ALDH1A1 1372/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R BAZ2B 1759/4885MMP13 3765/4885ALDH1A1 1372/4885

“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.