SCHEMBL4416586

SCHEMBL4416586

CCOC(=O)c1cc(-c2cccs2)nn1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 7/20 0.48
GAA P10253 4/20 0.48
HPGD P15428 4/20 0.48
KMT2A Q03164 4/20 0.48
CASP1 P29466 1/20 0.47
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KEAP1 Q14145 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
GLA P06280 1/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL14626023 0.84 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL4418323 0.82 L3MBTL1 (0.60) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL25433844 0.80 POLB (0.64) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL25435732 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EHPGDCASP1
SCHEMBL14015690 0.79 KMT2A (0.54) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL25435903 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EHPGDKMT2A
SCHEMBL25434166 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EHPGDKMT2A
SCHEMBL12410991 0.76 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL29846005 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EHPGDKMT2A
SCHEMBL4089570 0.75 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 US disclosed
US-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 US disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 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 (3 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-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ALDH1A1 788/4885SMN1; SMN2 1035/4885KDM4E 3526/4885
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 ALDH1A1 1389/4885SMN1; SMN2 4182/4885KDM4E 2009/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 ALDH1A1 1389/4885SMN1; SMN2 4182/4885KDM4E 2009/4885

“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.