SCHEMBL6496747

SCHEMBL6496747

Cc1cncn1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.63
CYP11B2 P19099 12/20 0.63
CYP19A1 P11511 3/20 0.63
IDO1 P14902 2/20 0.61
HPGDS O60760 1/20 0.51
P2RX7 Q99572 1/20 0.50
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
TNF P01375 1/20 0.44
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
TBXAS1 P24557 1/20 0.43
QPCT Q16769 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
QPCTL Q9NXS2 1/20 0.43

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
SCHEMBL15075172 0.85 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1IDO1MAPT
SCHEMBL4833123 0.81 CYP11B1 (0.64) CYP11B1CYP11B2CYP19A1IDO1
SCHEMBL6989844 0.81 TSHR (0.48) CYP11B1CYP11B2CYP19A1IDO1QPCT
SCHEMBL8652818 0.81 CYP11B1 (0.64) CYP11B1CYP11B2CYP19A1IDO1
SCHEMBL4480052 0.80 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1IDO1
SCHEMBL9413343 0.78 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1IDO1HPGDS
SCHEMBL27984850 0.78 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL15458790 0.78 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1IDO1HPGDS
SCHEMBL1812632 0.78 CYP11B1 (0.53) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3822425 0.78 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
US-20220214276-A1 SKIN SENSITIZATION MEASURING REAGENT, METHOD FOR MEASURING SKIN SENSITIZATION, AND COMPOUND FUJIFILM CORPORATION (JP) 2022-07-07 US disclosed
CN-114230522-A Imidazole-2-carboxylic acid metal beta-lactamase inhibitor and preparation method and application thereof 四川大学 2022-03-25 CN disclosed
CN-109069461-A The treatment method of illness relevant to marrow source property inhibition cell 洛克菲勒大学 2018-12-21 CN disclosed
US-9212348-B2 Method for producing hematopoietic stem cells using pyrazole compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
US-8921388-B2 Dihydroxypyrimidine carbonic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2014-12-30 US disclosed
US-20140057353-A1 METHOD FOR PRODUCING HEMATOPOIETIC STEM CELLS USING PYRAZOLE COMPOUNDS REPROCELL INCORPORATED (JP) 2014-02-27 US disclosed
US-8658686-B2 Pyrazole compounds having therapeutic effect on multiple myeloma NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-02-25 US disclosed
US-20140038990-A1 Dihydroxypyrimidine carbonic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease SAVIRA PHARMACEUTICALS GMBH (AT) 2014-02-06 US disclosed
US-20130253204-A1 PYRAZOLE COMPOUNDS HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-26 US disclosed
CN-101107246-B Anti-trypanosomiasis agent FUJI PHOTO FILM CO LTD 2011-04-20 CN disclosed
US-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
US-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
US-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists NOVARTIS AG (CH) 2008-10-30 US disclosed
US-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists NOVARTIS AG (CH) 2008-10-30 US disclosed
CN-101107246-A Anti-trypanosomiasis agent JAPAN SCIENCE & TECH AGENCY (JP) 2008-01-16 CN disclosed
CN-101031295-A Pharmaceutical composition for preventing or treating protozoan infection JAPAN SCIENCE & TECH AGENCY (JP) 2007-09-05 CN disclosed
WO-2006089700-A1 PYRROLIDINE AND PIPERIDINE ACETYLENE DERIVATIVES FOR USE AS MGLUR5 ANTAGONISTS NOVARTIS AG (CH) 2006-08-31 WO disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
WO-1993013077-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1993-07-08 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 (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-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists GRM5, GRIK5, GRM1 CYP11B1 2973/4885CYP11B2 2584/4885CYP19A1 3294/4885
US-20140038990-A1 Dihydroxypyrimidine carbonic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease DPYD, DHODH, ALAD CYP11B1 118/4885CYP11B2 102/4885CYP19A1 1134/4885
US-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE HSD11B1, HSD3B1, ADH1C CYP11B1 11/4885CYP11B2 29/4885CYP19A1 62/4885
US-20130253204-A1 PYRAZOLE COMPOUNDS HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA MCL1, BCL6, RTN3 CYP11B1 2212/4885CYP11B2 3246/4885CYP19A1 4546/4885
US-20140057353-A1 METHOD FOR PRODUCING HEMATOPOIETIC STEM CELLS USING PYRAZOLE COMPOUNDS HCLS1, RUNX1, HPRT1 CYP11B1 227/4885CYP11B2 455/4885CYP19A1 3510/4885

“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.