SCHEMBL16610447

SCHEMBL16610447

CC(C)(C)OC(=O)N1CCCC(c2c[nH]c3cc(Br)ncc23)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.48
JAK1 P23458 2/20 0.48
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
HPGDS O60760 2/20 0.44
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
PRMT5 O14744 2/20 0.41
SCN9A Q15858 1/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
CYP2C9 P11712 1/20 0.41
USP30 Q70CQ3 1/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 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
SCHEMBL16610331 0.89 KDM4E (0.47) JAK2JAK1HPGDSIDO1TDO2
SCHEMBL19972613 0.80 HSD11B1 (0.53) JAK2JAK1MTNR1AMTNR1BHPGDS
SCHEMBL5255106 0.79 KDM4E (0.56) JAK2JAK1MTNR1AMTNR1BHPGDS
SCHEMBL30834269 0.79 KDM4E (0.56) JAK2JAK1MTNR1AMTNR1BHPGDS
SCHEMBL24377814 0.79 KDM4E (0.41) JAK2JAK1MTNR1AMTNR1BHPGDS
SCHEMBL29546477 0.79 KDM4E (0.41) JAK2JAK1MTNR1AMTNR1BHPGDS
SCHEMBL18440796 0.77 MTNR1A (0.76) JAK2JAK1MTNR1AMTNR1BIDO1
SCHEMBL24377767 0.77 KDM4E (0.47) JAK2JAK1HPGDSKDM4EALDH1A1
SCHEMBL33377002 0.76 POLB (0.47) JAK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2010568 0.76 HSD11B1 (0.62) JAK2JAK1HPGDSSCN9AUSP30

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 JAK2 262/4885JAK1 191/4885MTNR1A 3585/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 JAK2 360/4885JAK1 223/4885MTNR1A 3559/4885

“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.