SCHEMBL16610259

SCHEMBL16610259

Cc1ccc(S(=O)(=O)n2cc(C(C)C)c3cnc(Cl)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
KDM4E B2RXH2 1/20 0.41
UBE2N P61088 1/20 0.41
HTR6 P50406 6/20 0.41
CYP19A1 P11511 2/20 0.41
KLK7 P49862 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM1A O60341 1/20 0.40
POLB P06746 1/20 0.40
ALDH3A1 P30838 1/20 0.40
HTT P42858 1/20 0.40
NOD1 Q9Y239 1/20 0.40
ALK Q9UM73 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21096559 0.86 KDM4E (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL21880219 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL16610202 0.83 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL31543074 0.83 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL16610356 0.79 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL31543235 0.79 HTR6 (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL22632864 0.79 HTR6 (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL29414685 0.79 HTR6 (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL22632701 0.77 KDM4E (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL15882732 0.76 ENPP3 (0.41) KDM4EUBE2NHTR6CYP19A1KLK7

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
EP-3071566-B1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-15 EP disclosed
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2016-09-08 US disclosed
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2016-09-08 US disclosed
WO-2015044267-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 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 (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-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 PDE4A 1513/4885PDE4B 1916/4885PDE4C 1562/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 PDE4A 1515/4885PDE4B 1870/4885PDE4C 1508/4885

“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.