SCHEMBL10063126

SCHEMBL10063126

CC(C)(C)c1ccc(NC(=O)c2cc(-c3ccncc3)c[nH]c2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 8/20 0.67
▸ KIT P10721 2/20 0.67
▸ SRC P12931 2/20 0.67
▸ FLT3 P36888 2/20 0.67
▸ ALK Q9UM73 2/20 0.61
▸ CFTR P13569 1/20 0.51
▸ TTK P33981 2/20 0.50
▸ AURKB Q96GD4 2/20 0.50
▸ INCENP Q9NQS7 2/20 0.50
▸ AURKA O14965 1/20 0.50
▸ FLT1 P17948 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ DHPS P49366 1/20 0.47
▸ CCNC P24863 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ INSR P06213 1/20 0.45

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
SCHEMBL10063153 0.88 ITK (0.57) ITKKITSRCFLT3ALK
SCHEMBL10063116 0.84 ITK (0.67) ITKKITSRCFLT3ALK
SCHEMBL15850171 0.84 ITK (0.67) ITKKITSRCFLT3ALK
SCHEMBL10063111 0.84 ALK (0.70) ITKKITSRCFLT3ALK
SCHEMBL10063120 0.84 ITK (0.64) ITKALKTTKAURKBINCENP
SCHEMBL10063128 0.84 ITK (0.64) ITKKITSRCFLT3ALK
SCHEMBL10063187 0.81 ALK (0.61) ITKALKTTKAURKBINCENP
SCHEMBL10063177 0.81 ITK (0.62) ITKKITSRCFLT3ALK
SCHEMBL10062821 0.80 ITK (1.00) ITKKITSRCFLT3TTK
SCHEMBL10063117 0.80 ITK (0.61) ITKALKTTKAURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831168-B1 PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY PROTEIN KINASES FOR THE TREATMENT OF INFLAMMATORY, PROLIFERATIVE AND IMMUNOLOGICALLY-MEDIATED DISEASES. VERTEX PHARMA (US) 2014-07-02 — — EP disclosed
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 — — US disclosed
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 393/4885KIT 958/4885SRC 339/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ITK 393/4885KIT 958/4885SRC 339/4885

“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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