SCHEMBL6445301

SCHEMBL6445301

CN(C=O)Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPT P10636 1/20 0.53
LIN28A Q9H9Z2 1/20 0.53
KCNA5 P22460 1/20 0.49
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH1 P35367 1/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL18302412 0.85 TDP1 (0.57) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL23111329 0.85 TDP1 (0.57) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL996633 0.82 KDM4E (0.51) SMN1; SMN2TDP1MAPTLIN28AALDH1A1
Acetaldehyde SCHEMBL27331159 0.81 SMN1; SMN2 (0.53) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL16899929 0.81 SMN1; SMN2 (0.57) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL13960891 0.80 TDP1 (0.52) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL5563786 0.79 TDP1 (0.50) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL10127312 0.79 SMN1; SMN2 (0.50) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL5563789 0.79 TDP1 (0.50) SMN1; SMN2TDP1MAPTLIN28AKCNA5
SCHEMBL12903540 0.79 MAPT (0.50) SMN1; SMN2TDP1MAPTLIN28AKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US claimed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP claimed
US-5663168-A ADMINISTERING INHIBITORS OF HIV ASPARATATE PROTEASES CIBA-GEIGY CORPORATION (US) 1997-09-02 US claimed
EP-0560268-B1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-01-04 EP claimed
EP-0626178-A1 Use of inhibitors of HIV-protease for the treatment of tumorous diseases CIBA-GEIGY AG (CH) 1994-11-30 EP claimed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP claimed
WO-1993018003-A1 SUBSTITUED PIPECOLINIC ACID DERIVATIVES AS HIV PROTEASE INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO claimed
EP-0560268-A1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP claimed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO claimed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP claimed
WO-1992017176-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-10-15 WO claimed
US-5151438-A Enzyme inhibitors for treatment of aids ABBOTT LABORATORIES (US) 1992-09-29 US claimed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
EP-2852596-B1 THIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
EP-0560268-A1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP disclosed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 (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-20150133425-A1 THIENOPYRIMIDINES TYMP, DPYD, TYMS SMN1; SMN2 1664/4885TDP1 185/4885MAPT 2275/4885

“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.