SCHEMBL2831390

SCHEMBL2831390

COc1ccc(NNC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 2/20 0.62
GAA P10253 2/20 0.62
ALDH1A1 P00352 1/20 0.62
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
P2RX7 Q99572 1/20 0.54
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TGM2 P21980 1/20 0.49

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
SCHEMBL20984200 0.86 PTGS2 (0.64) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL425146 0.84 PTGS2 (0.62) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL4028705 0.82 PTGS2 (0.60) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL5446840 0.82 PTGS2 (0.59) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL28713032 0.81 PTGS2 (0.58) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL18168759 0.80 PTGS2 (1.00) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL2236676 0.80 GAA (0.68) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL2887835 0.79 PTGS2 (0.57) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL20711657 0.79 PTGS2 (0.57) PTGS2SMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL14518056 0.79 L3MBTL1 (0.63) PTGS2SMN1; SMN2KDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386984-B1 HEXAHYDROPYRAZINOTRIAZINONE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SRL (BE) 2021-08-11 EP disclosed
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors Ichnos Sciences SA (CH) 2020-11-03 US disclosed
US-10450320-B2 Hexahydropyrazinotriazinone derivatives as kinase inhibitors UCB BIOPHARMA SPRL (BE) 2019-10-22 US disclosed
US-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2019-09-19 US disclosed
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A (CH) 2019-08-27 US disclosed
US-20180362532-A1 Hexahydropyrazinotriazinone Derivatives as Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-12-20 US disclosed
EP-3386984-A1 HEXAHYDROPYRAZINOTRIAZINONE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2018-10-17 EP disclosed
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2018-07-19 US disclosed
US-9949955-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2018-04-24 US disclosed
WO-2017097871-A1 HEXAHYDROPYRAZINOTRIAZINONE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2017-06-15 WO disclosed
US-20020016326-A1 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 US disclosed
US-6271237-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2001-08-07 US disclosed
WO-1999032454-A9 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARM CO (US) 2001-05-31 WO disclosed
EP-1042299-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-10-11 EP disclosed
WO-1999032454-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-01 WO disclosed
EP-0374911-A1 Water-soluble, fibre-reactive dyes, methods for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-27 EP disclosed
EP-0144766-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-10-05 EP disclosed
EP-0159292-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-01-07 EP disclosed
EP-0159292-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
EP-0144766-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 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 (7 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-20020016326-A1 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors F12, F11, F2 PTGS2 1688/4885SMN1; SMN2 1382/4885KDM4E 2758/4885
US-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS PTGS2 6/4885SMN1; SMN2 1312/4885KDM4E 3547/4885
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors PTGES, PTGS1, PTGIS PTGS2 6/4885SMN1; SMN2 1312/4885KDM4E 3547/4885
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS PTGS2 6/4885SMN1; SMN2 1312/4885KDM4E 3547/4885
US-10450320-B2 Hexahydropyrazinotriazinone derivatives as kinase inhibitors PI4KA, PI4KB, PI4K2B PTGS2 2321/4885SMN1; SMN2 4772/4885KDM4E 697/4885
US-20180362532-A1 Hexahydropyrazinotriazinone Derivatives as Kinase Inhibitors PI4KA, PI4KB, PI4K2B PTGS2 2321/4885SMN1; SMN2 4772/4885KDM4E 697/4885
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors PTGES, PTGS1, PTGIS PTGS2 6/4885SMN1; SMN2 1312/4885KDM4E 3547/4885

“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.