SCHEMBL14697252

SCHEMBL14697252

CON(C)C(=O)C1CCCN(Cc2ccccc2)C1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.70
HTT P42858 3/20 0.64
PKM P14618 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.60
ALDH1A1 P00352 4/20 0.60
HPGD P15428 1/20 0.58
CYP2D6 P10635 1/20 0.57
BCHE P06276 2/20 0.57
ACHE P22303 1/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ATM Q13315 1/20 0.56
POLB P06746 1/20 0.54

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
SCHEMBL2006875 0.93 KDM4E (0.59) KDM4EHTTPKMSMN1; SMN2MEN1
SCHEMBL3696343 0.88 KDM4E (0.65) KDM4EHTTPKMSMN1; SMN2MEN1
SCHEMBL6791438 0.87 KDM4E (0.77) KDM4EHTTPKMSMN1; SMN2MEN1
SCHEMBL6791434 0.87 KDM4E (0.77) KDM4EHTTPKMSMN1; SMN2MEN1
SCHEMBL5551098 0.85 KDM4E (0.73) KDM4EHTTPKMSMN1; SMN2MEN1
SCHEMBL896148 0.85 KDM4E (0.57) KDM4EMEN1KMT2ALMNABCHE
SCHEMBL9458519 0.83 HTT (0.89) KDM4EHTTPKMSMN1; SMN2MEN1
SCHEMBL29333202 0.82 KDM4E (0.67) KDM4EMEN1KMT2AALDH1A1HPGD
Bromide SCHEMBL9458813 0.82 HTT (0.87) KDM4EHTTPKMSMN1; SMN2MEN1
Bromide SCHEMBL9458818 0.82 HTT (0.87) KDM4EHTTPKMSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
EP-3112370-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2017-01-04 EP disclosed
EP-3112370-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2017-01-04 EP disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 US disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 US disclosed
EP-2742049-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2014-06-18 EP disclosed
WO-2013024895-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-21 WO disclosed
WO-2013024895-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-21 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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 KDM4E 999/4885HTT 3251/4885PKM 1503/4885
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 KDM4E 1930/4885HTT 3097/4885PKM 1451/4885

“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.