SCHEMBL4022652

SCHEMBL4022652

C=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ENPP2 Q13822 1/20 0.39
SIRT2 Q8IXJ6 12/20 0.35
TSHR P16473 2/20 0.33
NR1I2 O75469 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TBXA2R P21731 2/20 0.33
CCKBR P32239 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
KCNN4 O15554 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TRPM2 O94759 1/20 0.33
ABCB11 O95342 1/20 0.33

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
SCHEMBL312750 0.83 CYP11B1 (0.43) CYP11B1CYP11B2ENPP2SIRT2TSHR
SCHEMBL8687555 0.81 CYP11B1 (0.42) CYP11B1CYP11B2ENPP2SIRT2TSHR
SCHEMBL26704592 0.81 KDM4E (0.44) CYP11B1CYP11B2ENPP2TSHRMEN1
SCHEMBL7621404 0.79 CYP11B1 (0.40) CYP11B1CYP11B2ENPP2SIRT2TSHR
SCHEMBL7684568 0.79 CYP11B1 (0.40) CYP11B1CYP11B2ENPP2SIRT2TSHR
SCHEMBL7684566 0.79 CYP11B1 (0.40) CYP11B1CYP11B2ENPP2SIRT2TSHR
SCHEMBL7453723 0.78 CYP11B1 (0.39) CYP11B1CYP11B2ENPP2SIRT2TSHR
SCHEMBL6714980 0.78 RAB9A (0.42) CYP11B1CYP11B2ENPP2SIRT2MEN1
SCHEMBL9547333 0.78 CYP11B1 (0.39) CYP11B1CYP11B2ENPP2SIRT2TSHR
SCHEMBL6714982 0.78 RAB9A (0.42) CYP11B1CYP11B2ENPP2SIRT2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
CN-103764145-A Isoxazolines as therapeutic agents ABBOTT LAB 2014-04-30 CN disclosed
EP-2704712-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS AbbVie Inc. (US) 2014-03-12 EP disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
WO-2012151158-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2012-11-08 WO disclosed
EP-2225209-B1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF GRINDEKS JSC (LV) 2012-03-28 EP disclosed
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed
CN-1814614-A Nucleic acid, peptide nucleicacid derivatives and their use TOXIC MEDICINE INST MILITARY M (CN) 2006-08-09 CN 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-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS CYP3A7, CYP11B2, CYP11B1 CYP11B1 3/4885CYP11B2 2/4885ENPP2 416/4885
US-20130023526-A1 Isoxazolines as Therapeutic Agents CYP3A7, CYP11B2, CYP11B1 CYP11B1 3/4885CYP11B2 2/4885ENPP2 416/4885

“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.