SCHEMBL10063195

SCHEMBL10063195

CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 3/20 0.70
▸ ALK Q9UM73 3/20 0.56
▸ MAPT P10636 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ FLT3 P36888 2/20 0.52
▸ INSR P06213 2/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ NPM1 P06748 1/20 0.52
▸ IGF1R P08069 1/20 0.52
▸ BCR P11274 1/20 0.52
▸ AURKA O14965 2/20 0.51
▸ TTK P33981 2/20 0.51
▸ AURKB Q96GD4 2/20 0.51
▸ INCENP Q9NQS7 2/20 0.51
▸ KIT P10721 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ NAMPT P43490 1/20 0.48

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
SCHEMBL10081134 0.88 ITK (0.70) ITKALKMAPTFLT3INSR
SCHEMBL15850091 0.88 ITK (0.73) ITKALKMAPTFLT3INSR
SCHEMBL10063188 0.85 ITK (0.81) ITKALKSMN1; SMN2TSHRFLT3
SCHEMBL10063186 0.83 ITK (1.00) ITKALKMAPTSMN1; SMN2MEN1
SCHEMBL10063189 0.83 ITK (0.77) ITKALKMAPTSMN1; SMN2FLT3
SCHEMBL10063196 0.82 ITK (0.83) ITKALKMAPTFLT3INSR
SCHEMBL10063184 0.82 ITK (0.83) ITKALKMAPTSMN1; SMN2FLT3
SCHEMBL10063194 0.81 ITK (0.81) ITKALKMAPTSMN1; SMN2FLT3
SCHEMBL24990320 0.78 MAPT (0.61) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL10063126 0.77 ITK (0.67) ITKALKFLT3INSRAURKA

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-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 — — US disclosed
US-8338597-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 — — US disclosed
US-8338597-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 — — US disclosed
US-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 — — US disclosed
US-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 — — US disclosed
US-8101770-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 — — US disclosed
US-8101770-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 — — 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-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ITK 393/4885ALK 581/4885MAPT 1299/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ITK 393/4885ALK 581/4885MAPT 1299/4885

“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.

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