SCHEMBL10063137

SCHEMBL10063137

O=C(c1ccccc1)c1cccc(NC(=O)c2cc(-c3ccncc3)c[nH]c2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 7/20 0.58
▸ TTK P33981 3/20 0.58
▸ AURKB Q96GD4 2/20 0.58
▸ INCENP Q9NQS7 2/20 0.58
▸ AURKA O14965 1/20 0.58
▸ ALK Q9UM73 1/20 0.51
▸ KCNK3 O14649 1/20 0.50
▸ ROCK2 O75116 2/20 0.48
▸ GRK2 P25098 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ EGFR P00533 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PRKCA P17252 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ KIT P10721 2/20 0.44
▸ SRC P12931 2/20 0.44
▸ FLT3 P36888 2/20 0.44
▸ GPR142 Q7Z601 2/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL15850171 0.89 ITK (0.67) ITKTTKAURKBINCENPAURKA
SCHEMBL11888256 0.86 ITK (0.54) ITKTTKAURKBINCENPAURKA
SCHEMBL10063146 0.84 ALK (0.55) ITKTTKAURKBINCENPAURKA
SCHEMBL10063132 0.84 ITK (0.54) ITKTTKAURKBINCENPAURKA
SCHEMBL10063193 0.83 ITK (0.62) ITKTTKAURKBINCENPAURKA
SCHEMBL10063192 0.80 ALK (0.58) ITKTTKAURKBINCENPAURKA
SCHEMBL10063134 0.80 TTK (0.64) ITKTTKAURKBINCENPALK
SCHEMBL10063123 0.80 ITK (0.55) ITKTTKAURKBINCENPAURKA
SCHEMBL10063153 0.80 ITK (0.57) ITKTTKAURKBINCENPAURKA
SCHEMBL10063177 0.80 ITK (0.62) ITKTTKAURKBINCENPAURKA

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 393/4885TTK 242/4885AURKB 167/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ITK 393/4885TTK 242/4885AURKB 167/4885

“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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