SCHEMBL1459971

SCHEMBL1459971

COC(=O)CC(=O)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
NAPRT Q6XQN6 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
POLB P06746 3/20 0.49
TSHR P16473 2/20 0.49
ADORA3 P0DMS8 1/20 0.48
MC4R P32245 1/20 0.48
ADRA1A P35348 1/20 0.48
MC3R P41968 1/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 3/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL509677 0.85 POLB (0.52) KDM4ENAPRTHCAR2POLBTSHR
SCHEMBL14740765 0.83 KDM4E (0.48) KDM4ENAPRTHCAR2POLBTSHR
SCHEMBL5268168 0.83 KDM4E (0.47) KDM4ENAPRTHCAR2POLBTSHR
SCHEMBL6603504 0.81 KDM4E (0.53) KDM4ENAPRTHCAR2POLBTSHR
SCHEMBL1321794 0.79 KDM4E (0.61) KDM4ENAPRTHCAR2POLBTSHR
SCHEMBL29651938 0.77 KDM4E (0.57) KDM4ENAPRTHCAR2POLBTSHR
SCHEMBL2632671 0.77 KDM4E (0.58) KDM4ENAPRTHCAR2POLBTSHR
SCHEMBL108950 0.77 KDM4E (0.57) KDM4ENAPRTHCAR2POLBTSHR
SCHEMBL31312593 0.76 ALDH1A1 (0.42) KDM4ERAB9ASMN1; SMN2NPC1TP53
SCHEMBL2917891 0.76 NPC1 (0.50) KDM4ENAPRTHCAR2POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092444-A1 DIAZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092444-A1 DIAZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092463-A1 4-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092463-A1 4-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
US-20130158066-A1 4-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158066-A1 4-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158040-A1 DIAZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 WO disclosed
US-6686378-B2 ANTIINFLAMMATORY AGENTS; SKIN DISORDERS LES LABORATOIRES SERVIER (FR) 2004-02-03 US disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed
US-20030013742-A1 Novel derivatives of 3-imino-1,2-dithioles, method for producing them and pharmaceutical compositions containing the same LES LABORATOIRES SERVIER (FR) 2003-01-16 US disclosed
US-4853027-A PREEMGENCE, POSTEMERGENCE HOERBICIDES; WEEDS, GRASSES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-01 US 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 (6 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 KDM4E 3283/4885NAPRT 3411/4885HCAR2 141/4885
US-20130158040-A1 DIAZAINDOLE INHIBITORS OF CRAC ORAI2, ORAI1, RYR2 KDM4E 3338/4885NAPRT 2043/4885HCAR2 48/4885
US-20130158066-A1 4-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 KDM4E 1365/4885NAPRT 2033/4885HCAR2 39/4885
US-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 KDM4E 2816/4885NAPRT 3159/4885HCAR2 293/4885
US-20030013742-A1 Novel derivatives of 3-imino-1,2-dithioles, method for producing them and pharmaceutical compositions containing the same PTGER1, PTGER2, PTGS1 KDM4E 4814/4885NAPRT 2842/4885HCAR2 312/4885
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 KDM4E 2050/4885NAPRT 2261/4885HCAR2 43/4885

“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.