SCHEMBL368204

SCHEMBL368204

CCOC(=O)Cn1ccnc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
FPR2 P25090 4/20 0.49
ALPL P05186 2/20 0.49
ALPG P10696 2/20 0.49
ALPI P09923 1/20 0.49
PLAA Q9Y263 1/20 0.49
GFER P55789 1/20 0.48
MITF O75030 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NOS1 P29475 1/20 0.47
MAPK1 P28482 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
FDPS P14324 1/20 0.44
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 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
SCHEMBL25401370 0.86 ALPL (0.51) POLBALPLALPGALPIPLAA
SCHEMBL2960305 0.84 ALPL (0.50) POLBALPLALPGALPIPLAA
SCHEMBL9185808 0.83 FPR2 (0.53) POLBFPR2MITFKMT2AALDH1A1
SCHEMBL2825741 0.83 FPR2 (0.56) POLBFPR2ALPLALPGPLAA
SCHEMBL13610873 0.83 FPR2 (0.47) POLBFPR2MITFKMT2AALDH1A1
SCHEMBL2970107 0.83 ALDH1A1 (0.53) POLBFPR2KMT2AALDH1A1SMN1; SMN2
SCHEMBL27523728 0.83 FPR2 (0.47) POLBFPR2MITFKMT2AALDH1A1
SCHEMBL12636573 0.81 FPR2 (0.46) POLBFPR2MITFKMT2AALDH1A1
SCHEMBL12636575 0.81 FPR2 (0.46) POLBFPR2MITFKMT2AALDH1A1
SCHEMBL21539521 0.81 FPR2 (0.54) POLBFPR2ALPLALPGPLAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2018-10-04 US disclosed
WO-2017081615-A1 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2017-05-18 WO disclosed
EP-2383269-B1 Substituted Dihydropyrazolones for the treatment of cardiovascular diseases BAYER IP GMBH (DE) 2017-01-18 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US disclosed
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US disclosed
US-9168249-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
WO-2008067871-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 WO disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
EP-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 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-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK POLB 3124/4885FPR2 3342/4885ALPL 786/4885
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, HPGDS POLB 3965/4885FPR2 2309/4885ALPL 905/4885
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS TST, THPO, STS POLB 1604/4885FPR2 101/4885ALPL 2235/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 POLB 3375/4885FPR2 818/4885ALPL 4719/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A POLB 118/4885FPR2 4499/4885ALPL 3654/4885

“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.