SCHEMBL16610331

SCHEMBL16610331

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3cc(Br)ncc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
JAK1 P23458 2/20 0.46
JAK2 O60674 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CREBBP Q92793 1/20 0.42
HPGDS O60760 1/20 0.42
GPR119 Q8TDV5 6/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1F P30939 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
HTT P42858 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL16610447 0.89 JAK2 (0.48) KDM4EJAK1JAK2TYK2JAK3
SCHEMBL24377767 0.88 KDM4E (0.47) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL4775441 0.86 GPR119 (0.46) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL12127425 0.83 KDM4E (0.49) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL4771288 0.82 GPR119 (0.47) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL12284754 0.81 KDM4E (0.47) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL12127418 0.81 KDM4E (0.49) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL33377002 0.81 POLB (0.47) KDM4ETHRBJAK1ALDH1A1POLB
SCHEMBL4767261 0.81 GPR119 (0.53) KDM4EMAPTTHRBJAK1JAK2
SCHEMBL4771971 0.79 AVPR1A (0.50) KDM4EMAPTTHRBJAK1JAK2

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 KDM4E 1250/4885MAPT 2382/4885THRB 1968/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 KDM4E 1312/4885MAPT 2272/4885THRB 1939/4885

“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.