SCHEMBL5793071

SCHEMBL5793071

CCc1n[nH]c(=S)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.53
CYP2C9 P11712 1/20 0.53
PPARG P37231 6/20 0.45
NCOA2 Q15596 6/20 0.45
NCOA1 Q15788 6/20 0.45
RXFP1 Q9HBX9 5/20 0.45
NCOA3 Q9Y6Q9 5/20 0.45
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 2/20 0.37
ALPG P10696 1/20 0.37
HSD17B10 Q99714 1/20 0.36
FFAR3 O14843 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
GLA P06280 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
SCHEMBL17285533 0.83 ALDH1A1 (0.61) MAPTALDH1A1HPGDCYP2C9PPARG
SCHEMBL13548267 0.82 GLA (0.45) MAPTALDH1A1HPGDCYP2C9GAA
SCHEMBL17285587 0.80 ALDH1A1 (0.57) MAPTALDH1A1HPGDCYP2C9PPARG
SCHEMBL6320498 0.79 ALDH1A1 (0.56) MAPTALDH1A1HPGDCYP2C9PPARG
SCHEMBL5795084 0.71 ALDH1A1 (0.63) MAPTALDH1A1HPGDPPARGNCOA2
SCHEMBL5791378 0.71 ALDH1A1 (1.00) MAPTALDH1A1HPGDCYP2C9PPARG
SCHEMBL17285588 0.69 ALDH1A1 (0.63) MAPTALDH1A1HPGDCYP2C9GAA
SCHEMBL5795561 0.69 ALDH1A1 (0.73) MAPTALDH1A1HPGDCYP2C9MEN1
SCHEMBL28136550 0.68 NSD2 (0.47) MAPTALDH1A1HPGDCYP2C9PPARG
SCHEMBL19655935 0.68 ALDH1A1 (0.51) MAPTALDH1A1HPGDCYP2C9PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661932-B1 COMPOSITIONS AND METHODS FOR STABILIZING BENZOTHIAZOLE LUCIFERIN ANALOGS PROMEGA CORP (US) 2021-10-06 EP disclosed
US-11136615-B2 Compositions and methods for stabilizing benzothiazole luciferin analogs PROMEGA CORPORATION (US) 2021-10-05 US disclosed
US-20190040449-A1 COMPOSITIONS AND METHODS FOR STABILIZING BENZOTHIAZOLE LUCIFERIN ANALOGS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-02-07 US disclosed
WO-2019028272-A1 COMPOSITIONS AND METHODS FOR STABILIZING BENZOTHIAZOLE LUCIFERIN ANALOGS PROMEGA CORPORATION (US) 2019-02-07 WO disclosed
EP-3146066-B1 COMPOSITIONS AND METHODS FOR STABILIZING LUMINOGENIC SUBSTRATES PROMEGA CORP (US) 2018-03-14 EP disclosed
US-9676997-B2 Compositions and methods for stabilizing luminogenic substrates PROMEGA CORPORATION (US) 2017-06-13 US disclosed
US-20150337198-A1 COMPOSITIONS AND METHODS FOR STABILIZING LUMINOGENIC SUBSTRATES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2015-11-26 US disclosed
WO-2015179864-A1 COMPOSITIONS AND METHODS FOR STABILIZING LUMINOGENIC SUBSTRATES PROMEGA CORPORATION (US) 2015-11-26 WO disclosed
WO-2007017114-A1 NEW SUBSTITUTED AZATHYMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES MERLION PHARMACEUTICALS SA (CH) 2007-02-15 WO disclosed
US-7034151-B2 1,4-dihydro-4-oxo-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylates; novel approach to the formation of the bicyclic heterocyclic ring system BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-25 US disclosed
EP-1644353-A1 AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES Bayer HealthCare AG (DE) 2006-04-12 EP disclosed
EP-1590335-A4 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-08 EP disclosed
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors CHEN BANG-CHI 2006-02-23 US disclosed
EP-1590335-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-11-02 EP disclosed
WO-2005003118-A1 AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES BAYER HEALTHCARE AG (DE) 2005-01-13 WO disclosed
WO-2004072030-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO disclosed
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-12 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 (4 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-20190040449-A1 COMPOSITIONS AND METHODS FOR STABILIZING BENZOTHIAZOLE LUCIFERIN ANALOGS TK1, TYMP, NUDT1 MAPT 3613/4885ALDH1A1 2006/4885HPGD 2221/4885
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 MAPT 1978/4885ALDH1A1 4403/4885HPGD 943/4885
US-11136615-B2 Compositions and methods for stabilizing benzothiazole luciferin analogs TK1, TYMP, NUDT1 MAPT 3613/4885ALDH1A1 2006/4885HPGD 2221/4885
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 MAPT 1978/4885ALDH1A1 4403/4885HPGD 943/4885

“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.