SCHEMBL454021

SCHEMBL454021

Nc1ccccc1-n1ccnn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NOTUM Q6P988 13/20 0.46
KEAP1 Q14145 2/20 0.41
CYP19A1 P11511 1/20 0.40
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRNB2 P17787 1/20 0.39
CYP2B6 P20813 1/20 0.39
MAOA P21397 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
SCHEMBL27984977 0.85 NOTUM (0.43) GAAKDM4ENOTUMKEAP1CYP19A1
SCHEMBL6428993 0.82 NOTUM (0.44) GAAKDM4ENOTUMKEAP1MEN1
SCHEMBL21376045 0.78 NOTUM (0.49) GAANOTUMKEAP1CYP19A1KMT2A
SCHEMBL18284747 0.78 NOTUM (0.46) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL18284817 0.77 NOTUM (0.43) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL28978245 0.77 NOTUM (0.43) GAAKDM4ENOTUMKEAP1MEN1
SCHEMBL30288919 0.77 NOTUM (0.43) GAAKDM4ENOTUMKEAP1MEN1
SCHEMBL170100 0.76 IDO1 (0.47) GAAKDM4ENOTUMKEAP1HTT
SCHEMBL20605667 0.76 NOTUM (0.50) NOTUMKEAP1CYP19A1MEN1KMT2A
SCHEMBL241942 0.76 NOTUM (0.50) NOTUMKEAP1CYP1A2CYP2C9CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180369262-A1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES TETARD, INC. 2018-12-27 US disclosed
EP-2365747-B1 METHODS FOR TREATING GASTROINTESTINAL DISEASES CEMPRA PHARMACEUTICALS INC (US) 2018-04-11 EP disclosed
EP-2362727-B1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES CEMPRA PHARMACEUTICALS INC (US) 2018-04-11 EP disclosed
US-9901592-B2 Methods for treating resistant diseases using triazole containing macrolides CEMPRA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
US-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-9669046-B2 Biodefenses using triazole-containing macrolides CEMPRA PHARMACEUTICALS, INC. (US) 2017-06-06 US disclosed
CN-104093715-B 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives 埃科特莱茵药品有限公司 2017-04-26 CN disclosed
CN-103626742-B Bi-aryl meta-pyrimidine inhibitors of kinases 塔格根公司 2017-04-26 CN disclosed
US-9439918-B2 Methods for treating gastrointestinal diseases CEMPRA PHARMACEUTICALS, INC. (US) 2016-09-13 US disclosed
EP-3031460-A1 BIODEFENSES USING TRIAZOLE-CONTAINING MACROLIDES Cempra Pharmaceuticals Inc. (US) 2016-06-15 EP disclosed
CN-101370792-A Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC (US) 2009-02-18 CN disclosed
EP-1981876-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2008-10-22 EP disclosed
CN-101137653-A Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE (CH) 2008-03-05 CN disclosed
WO-2007080401-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2007-07-19 WO disclosed
US-4463007-A ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1984-07-31 US disclosed
EP-0001774-A1 Derivatives of BPTI (basic pancreatic trypsin-inhibitor), process for their preparation and their use as medicines BAYER AG (DE) 1979-05-16 EP disclosed
EP-0001773-A1 Derivatives of BPTI (basic pancreatic trypsin-inhibitor), process for their preparation and their use as medicines BAYER AG (DE) 1979-05-16 EP disclosed
US-4153687-A Derivatives, having an inhibitory action against protease and an antiphlogistic action, of the trypsin-kallikrein inhibitor obtained from cattle organs (BPTI), their preparation and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-05-08 US disclosed
US-4060531-A OPTICAL BRIGTENERS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-11-29 US disclosed
US-4020083-A ANTIINFLAMMATORY SANDOZ, INC. (US) 1977-04-26 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 (1 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-20180369262-A1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES LIPA, PNLIP, LIPC GAA 13/4885KDM4E 4245/4885NOTUM 865/4885

“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.