SCHEMBL10063146

SCHEMBL10063146

O=C(Nc1cccc(Cc2ccccc2)c1)c1cc(-c2ccncc2)c[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.55
▸ ITK Q08881 5/20 0.54
▸ AURKA O14965 1/20 0.52
▸ TTK P33981 1/20 0.52
▸ AURKB Q96GD4 1/20 0.52
▸ INCENP Q9NQS7 1/20 0.52
▸ GPR142 Q7Z601 6/20 0.50
▸ ROCK2 O75116 1/20 0.48
▸ GRK2 P25098 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.46
▸ PARP1 P09874 4/20 0.46
▸ KDR P35968 1/20 0.45
▸ CYP17A1 P05093 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 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
SCHEMBL10063192 0.88 ALK (0.58) ALKITKAURKATTKAURKB
SCHEMBL15850171 0.88 ITK (0.67) ALKITKAURKATTKAURKB
SCHEMBL10063137 0.84 ITK (0.58) ALKITKAURKATTKAURKB
SCHEMBL10063132 0.83 ITK (0.54) ALKITKAURKATTKAURKB
SCHEMBL10063193 0.82 ITK (0.62) ALKITKAURKATTKAURKB
SCHEMBL10063122 0.80 ROCK2 (0.59) ALKITKAURKATTKAURKB
SCHEMBL10063153 0.80 ITK (0.57) ALKITKAURKATTKAURKB
SCHEMBL10063123 0.80 ITK (0.55) ALKITKAURKATTKAURKB
SCHEMBL10063134 0.80 TTK (0.64) ALKITKTTKAURKBINCENP
SCHEMBL10063177 0.79 ITK (0.62) ALKITKAURKATTKAURKB

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 ALK 581/4885ITK 393/4885AURKA 97/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ALK 581/4885ITK 393/4885AURKA 97/4885

“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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