SCHEMBL12329664

SCHEMBL12329664

CCOC(=O)C1=C(C)Nc2nc(C(=O)O)nn2C1c1ccc(C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TSHR P16473 4/20 0.55
POLB P06746 2/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPK1 P28482 1/20 0.55
HPGD P15428 2/20 0.51
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.45
ADORA2B P29275 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2742309 0.94 TSHR (0.57) ALDH1A1TSHRPOLBHSD17B10KDM4E
SCHEMBL2742310 0.90 TSHR (0.67) ALDH1A1TSHRPOLBHSD17B10KDM4E
SCHEMBL231970 0.88 CYP1A2 (0.43) ALDH1A1TSHRPOLBHSD17B10KDM4E
SCHEMBL231034 0.88 ALDH1A1 (0.55) ALDH1A1TSHRPOLBHSD17B10KDM4E
SCHEMBL2742308 0.87 ALDH1A1 (0.59) ALDH1A1TSHRPOLBHSD17B10KDM4E
SCHEMBL14937791 0.83 ALDH1A1 (0.51) ALDH1A1TSHRPOLBHSD17B10KDM4E
SCHEMBL231430 0.82 HSD17B10 (0.51) ALDH1A1TSHRPOLBHSD17B10KDM4E
SCHEMBL14937838 0.82 ALDH1A1 (0.50) ALDH1A1TSHRPOLBHSD17B10KDM4E
SCHEMBL231063 0.82 ALDH1A1 (0.49) ALDH1A1TSHRPOLBHSD17B10KDM4E
SCHEMBL230555 0.82 LMNA (0.64) ALDH1A1TSHRPOLBMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545057-B1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD CHIESI FARM SPA (IT) 2017-06-07 EP disclosed
EP-2545057-B1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD CHIESI FARM SPA (IT) 2017-06-07 EP disclosed
US-9120802-B2 Pyrimidine derivatives and their use in the treatment of respiratory diseases such as COPD CHIESI FARMACEUTICI S.P.A. (IT) 2015-09-01 US disclosed
US-9120802-B2 Pyrimidine derivatives and their use in the treatment of respiratory diseases such as COPD CHIESI FARMACEUTICI S.P.A. (IT) 2015-09-01 US disclosed
US-9120802-B2 Pyrimidine derivatives and their use in the treatment of respiratory diseases such as COPD CHIESI FARMACEUTICI S.P.A. (IT) 2015-09-01 US disclosed
US-20130123278-A1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD CHIESI FARMACEUTICI S.P.A. (IT) 2013-05-16 US disclosed
US-20130123278-A1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD CHIESI FARMACEUTICI S.P.A. (IT) 2013-05-16 US disclosed
US-20130123278-A1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD CHIESI FARMACEUTICI S.P.A. (IT) 2013-05-16 US disclosed
WO-2011110859-A1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2011-09-15 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 (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-20130123278-A1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD XDH, SERPINB1, CCR9 ALDH1A1 1182/4885TSHR 1591/4885POLB 188/4885

“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.