Sugi Predict

Sugi Predict / Compounds / SCHEMBL5062503

SCHEMBL5062503

SCHEMBL5062503

CNc1ncc2cc(-c3cc(NC(=O)Nc4cc(C(F)(F)F)nn4-c4ccccc4)ccc3C)c(=O)n(C)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.58
▸ KCNJ6 P48051 2/20 0.51
▸ KCNJ5 P48544 2/20 0.51
▸ KCNJ3 P48549 2/20 0.51
▸ DDR2 Q16832 1/20 0.51
▸ BRAF P15056 3/20 0.46
▸ RAF1 P04049 2/20 0.46
▸ MAPK14 Q16539 8/20 0.46
▸ MAPK13 O15264 6/20 0.46
▸ MAPK12 P53778 6/20 0.46
▸ MAPK11 Q15759 6/20 0.46
▸ LCK P06239 2/20 0.45
▸ KDR P35968 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ WEE1 P30291 3/20 0.43
▸ SRC P12931 1/20 0.42
▸ MAP3K7 O43318 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TAB1 Q15750 1/20 0.42

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
SCHEMBL5062093 0.89 SYK (0.52) SYKKCNJ6KCNJ5KCNJ3DDR2
SCHEMBL5057550 0.88 BRAF (0.61) SYKKCNJ6KCNJ5KCNJ3BRAF
SCHEMBL5061852 0.83 KCNJ6 (0.49) SYKKCNJ6KCNJ5KCNJ3DDR2
SCHEMBL4420794 0.83 SYK (0.52) SYKDDR2BRAFRAF1MAPK14
SCHEMBL5065309 0.83 BRAF (0.63) DDR2BRAFRAF1MAPK14MAPK13
SCHEMBL5052196 0.83 ABL1 (0.56) SYKDDR2BRAFRAF1MAPK14
SCHEMBL5052261 0.82 MAPK14 (0.55) DDR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5060642 0.81 DDR2 (0.47) SYKDDR2BRAFRAF1MAPK14
SCHEMBL5056340 0.81 MAPK14 (0.46) SYKDDR2BRAFRAF1MAPK14
SCHEMBL5056346 0.81 ABL1 (0.53) SYKDDR2BRAFRAF1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 — — US claimed
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
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 — — US 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 SYK 898/4885KCNJ6 990/4885KCNJ5 1019/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 SYK 898/4885KCNJ6 990/4885KCNJ5 1019/4885

“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.