SCHEMBL4278964

SCHEMBL4278964

CC(C)(C)c1ncc(C(=O)O)c(-c2cccnc2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHODH Q02127 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
KIF11 P52732 1/20 0.42
CYP2A6 P11509 1/20 0.42
DUSP10 Q9Y6W6 1/20 0.41
MAPK1 P28482 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL2080464 0.87 MEN1 (0.49) KDM4ELMNAALDH1A1CYP1A2CYP2C9
SCHEMBL4276300 0.82 ALDH1A1 (0.56) KDM4ELMNAMKNK1MKNK2ALDH1A1
SCHEMBL8518593 0.80 ALDH1A1 (0.49) KMOKDM4ELMNAHTTMKNK1
SCHEMBL4422802 0.78 KMO (0.46) KMOKDM4EALDH1A1DHODH
SCHEMBL6016346 0.77 KMT2A (0.56) KMOLMNAHTTMKNK1MKNK2
SCHEMBL10220468 0.77 CYP2A6 (0.46) KDM4ELMNAHTTALDH1A1CYP1A2
SCHEMBL5145882 0.74 KDM4E (0.67) KMOKDM4ELMNAHTTMKNK1
SCHEMBL2080586 0.73 ALDH1A1 (0.51) KDM4ELMNAALDH1A1MAPK1
SCHEMBL2732894 0.73 HSP90AA1 (0.58) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL22719435 0.73 KDM4E (0.65) KMOKDM4ELMNAHTTMKNK1

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 5 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-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 (2 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-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 KMO 930/4885KDM4E 2009/4885LMNA 3483/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 KMO 930/4885KDM4E 2009/4885LMNA 3483/4885

“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.