SCHEMBL6557590

SCHEMBL6557590

OB(O)c1ccc(CN2CCOCC2)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CXCR4 P61073 1/20 0.41
CYP2A13 Q16696 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
SCHEMBL15805381 0.85 ALDH1A1 (0.50) HTTHRH3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27546493 0.84 SIGMAR1 (0.42) CYP2C9ALOX15HSD17B10ALDH1A1MEN1
SCHEMBL14058982 0.77 HRH3 (0.41) HTTCYP2C9ALOX15HSD17B10HRH3
SCHEMBL27498564 0.76 HTT (0.44) HTTCYP2C9ALOX15HSD17B10HRH3
SCHEMBL13828361 0.74 HTT (0.51) HTTCYP2C9ALOX15HSD17B10HRH3
SCHEMBL21127874 0.74 HTT (0.51) HTTCYP2C9ALOX15HSD17B10HRH3
SCHEMBL27611661 0.74 HRH3 (0.52) HTTCYP2C9ALOX15HSD17B10HRH3
SCHEMBL1928227 0.74 KDM4E (0.67) HTTCYP2C9ALOX15HSD17B10HRH3
SCHEMBL14235300 0.74 HTT (0.51) HTTCYP2C9ALOX15HSD17B10HRH3
SCHEMBL3825358 0.72 HRH3 (0.60) HTTCYP2C9ALOX15HSD17B10HRH3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2931722-B1 SUBSTITUTED 1H-PYRROLO [2,3-B]PYRIDINE AND 1H-PYRAZOLO [3, 4-B]PYRIDINE DERIVATIVES AS SALT INDUCIBLE KINASE 2 (SIK2) INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2020-02-05 EP disclosed
US-9951062-B2 Substituted 1 H-pyrrolo [2, 3-b] pyridine and 1 H-pyrazolo [3, 4-b] pyridine derivatives as salt inducible kinase 2 (SIK2) inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-04-24 US disclosed
US-9951062-B2 Substituted 1 H-pyrrolo [2, 3-b] pyridine and 1 H-pyrazolo [3, 4-b] pyridine derivatives as salt inducible kinase 2 (SIK2) inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-04-24 US disclosed
US-9890153-B2 Substituted 1H-pyrrolo [2, 3-b] pyridine and 1H-pyrazolo [3, 4-b] pyridine derivatives as salt inducible kinase 2 (SIK2) inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-02-13 US disclosed
US-9890153-B2 Substituted 1H-pyrrolo [2, 3-b] pyridine and 1H-pyrazolo [3, 4-b] pyridine derivatives as salt inducible kinase 2 (SIK2) inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-02-13 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
EP-2970210-B1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES Celon Pharma Sa (PL) 2017-01-04 EP disclosed
US-20160090382-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors ARRIEN PHARMACEUTICALS LLC 2016-03-31 US disclosed
US-20160090382-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors ARRIEN PHARMACEUTICALS LLC 2016-03-31 US disclosed
US-20160039794-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2016-02-11 US disclosed
EP-2970210-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2016-01-20 EP disclosed
WO-2014141015-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2014-09-18 WO disclosed
US-20140256704-A1 Substituted 1H-Pyrrolo [2, 3-b] pyridine and 1H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2014-09-11 US disclosed
US-20140256704-A1 Substituted 1H-Pyrrolo [2, 3-b] pyridine and 1H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2014-09-11 US disclosed
WO-2014093383-A1 SUBSTITUTED 1H-PYRROLO [2,3-B] PYRIDINE AND 1H-PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS SALT INDUCIBLE KINASE 2 (SIK2) INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2014-06-19 WO disclosed
EP-1230224-B1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2004-12-29 EP disclosed
US-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed
EP-1230224-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-14 EP disclosed
WO-2001032633-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 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 (3 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-20160090382-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors SIK2, SIK1, SIK3 HTT 1781/4885CYP2C9 2762/4885ALOX15 3899/4885
US-20160039794-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES NR0B2, NR2C2, NR4A3 HTT 4737/4885CYP2C9 1693/4885ALOX15 3511/4885
US-20140256704-A1 Substituted 1H-Pyrrolo [2, 3-b] pyridine and 1H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors SIK2, SIK1, SIK3 HTT 3174/4885CYP2C9 3060/4885ALOX15 3743/4885

“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.