SCHEMBL4422802

SCHEMBL4422802

CC(C)(C)c1ncc(C(=O)O)c(-c2cccc(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.43
DCLRE1B Q9H816 1/20 0.42
DHODH Q02127 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGDR Q13258 1/20 0.41
PIN1 Q13526 1/20 0.41
MAP4K4 O95819 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
LDHA P00338 1/20 0.40
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDR P35968 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HPGDS O60760 1/20 0.39

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 0.84 MEN1 (0.49) KDM4EALDH1A1LDHAMAPTRXFP1
SCHEMBL1971235 0.84 KMO (0.47) KMOPTGDR2DCLRE1BDHODHCSNK2A2
SCHEMBL5057646 0.83 JAK2 (0.54) PTGDR2KDM4EALDH1A1TRPM8MAPT
SCHEMBL4278964 0.78 KMO (0.46) KMODHODHKDM4EALDH1A1
SCHEMBL1967237 0.75 KMO (0.50) KMOPTGDR2DCLRE1BDHODHALDH1A1
SCHEMBL3213900 0.73 HPGDS (0.54) KMODCLRE1BDHODHKDM4EALDH1A1
SCHEMBL4426225 0.73 SRC (0.46) KDR
Hydrochloric Acid SCHEMBL3222314 0.72 HPGDS (0.53) KMODCLRE1BDHODHKDM4EALDH1A1
SCHEMBL3820128 0.72 MAP4K4 (0.53) MAP4K4KDRHPGDS
SCHEMBL2080586 0.71 ALDH1A1 (0.51) KDM4EALDH1A1MAPTRXFP1

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 930/4885PTGDR2 1232/4885DCLRE1B 868/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 KMO 930/4885PTGDR2 1232/4885DCLRE1B 868/4885

“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.