SCHEMBL58026

SCHEMBL58026

O=COC1CCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.59
PDPK1 O15530 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
CYP11B2 P19099 1/20 0.40
PIN1 Q13526 2/20 0.38
ACP3 P15309 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL14234001 1.00 IDO1 (0.59) IDO1PDPK1CA1CA2GPR84
SCHEMBL242245 0.89 IDO1 (0.62) IDO1GPR84FFAR1
SCHEMBL756933 0.83 IDO1 (0.61) IDO1PDPK1GPR84CYP11B2ACP3
SCHEMBL17310830 0.81 IDO1 (0.59) IDO1PDPK1GPR84CYP11B2
SCHEMBL376248 0.78 IDO1 (0.70) IDO1PDPK1GPR84CYP11B2
SCHEMBL17310949 0.77 IDO1 (0.54) IDO1PDPK1GPR84FFAR1
SCHEMBL6046104 0.76 IDO1 (0.45) IDO1PDPK1CA1CA2
SCHEMBL10469818 0.75 MTNR1A (0.49)
SCHEMBL447419 0.75 IDO1 (0.66) IDO1PDPK1CA1CA2GPR84
SCHEMBL21300294 0.75 IDO1 (0.66) IDO1PDPK1GPR84CYP11B2PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
CN-105565405-B A kind of vertical Quick purifying device and its process for purifying water 徐州工程学院 2018-01-19 CN claimed
EP-2758389-B1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-06-07 EP claimed
US-9394282-B2 Pyrazole carboxamides as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-19 US claimed
CN-105565405-A Vertical type rapid water purifying device and water purifying method thereof XUZHOU INST TECHNOLOGY 2016-05-11 CN claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS INTERVET INC. 2014-08-21 US claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP claimed
CN-101730694-A Substituted deuterium enriched thiophenes for the treatment of hypertension AUSPEX PHARMACEUTICALS INC 2010-06-09 CN claimed
US-4166905-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 US claimed
US-4166906-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 US claimed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US claimed
US-4138486-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1979-02-06 US claimed
US-4118566-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-10-03 US claimed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 US claimed
US-4113946-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-12 US claimed
US-4112230-A Δ2,3 -1,4 Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-05 US claimed
US-4091210-A Preparation of 3-alkyl-3-cephem-4-carboxylic acid compounds from dithio isopropenyl azetidine carboxylic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-05-23 US claimed
US-4081443-A Penicillin oxides SHIONOGI & CO., LTD. (JA) 1978-03-28 US claimed

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-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 IDO1 375/4885PDPK1 445/4885CA1 1965/4885
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 IDO1 239/4885PDPK1 288/4885CA1 2754/4885

“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.