SCHEMBL4067526

SCHEMBL4067526

CN1C(=O)COc2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
GRM4 Q14833 1/20 0.43
NR3C2 P08235 1/20 0.39
RIPK1 Q13546 14/20 0.39
TERT O14746 1/20 0.38
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL30336156 1.00 CYP11B1 (0.47) CYP11B1CYP11B2GRM4NR3C2RIPK1
SCHEMBL21500799 0.84 RIPK1 (0.39) RIPK1
SCHEMBL30250877 0.84 RIPK1 (0.39) RIPK1
SCHEMBL12963725 0.80 ADRA2A (0.47) CHRM1DRD2KCNH2
SCHEMBL18237838 0.80 USP19 (0.41) NR3C2CHRM1DRD2KCNH2
SCHEMBL18937273 0.80 USP19 (0.38) CYP11B1CYP11B2GRM4NR3C2TERT
SCHEMBL19228337 0.78 RIPK1 (0.42) RIPK1
SCHEMBL11034464 0.77 NOS3 (0.41) CHRM1DRD2KCNH2
SCHEMBL19153681 0.77 CYP11B2 (0.41) CYP11B1CYP11B2GRM4TERT
SCHEMBL5226380 0.76 NR3C2 (0.39) NR3C2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 US disclosed
WO-2014203217-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-24 WO disclosed
US-7812158-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2010-10-12 US disclosed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20070112196-A1 New coupling agents for peptide synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-17 US disclosed
EP-0462813-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-10-25 EP disclosed
US-5373007-A Lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-12-13 US disclosed
US-5321025-A Inhibitors of 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-06-14 US disclosed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP 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 (5 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CYP11B1 4104/4885CYP11B2 4026/4885GRM4 2092/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ CYP11B1 3076/4885CYP11B2 3496/4885GRM4 4663/4885
US-20070112196-A1 New coupling agents for peptide synthesis NGLY1, NPPA, VIP CYP11B1 2691/4885CYP11B2 2574/4885GRM4 3468/4885
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS RYR2, NR2C2, CACNA1E CYP11B1 897/4885CYP11B2 623/4885GRM4 770/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 CYP11B1 334/4885CYP11B2 278/4885GRM4 1945/4885

“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.