SCHEMBL10063132

SCHEMBL10063132

O=C(Nc1cccc(Oc2ccccc2)c1)c1cc(-c2ccncc2)c[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 3/20 0.54
▸ KDR P35968 1/20 0.52
▸ TTK P33981 3/20 0.52
▸ AURKB Q96GD4 2/20 0.52
▸ INCENP Q9NQS7 2/20 0.52
▸ AURKA O14965 1/20 0.52
▸ ALK Q9UM73 1/20 0.50
▸ GALK1 P51570 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ PLEC Q15149 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GPR142 Q7Z601 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HSD17B10 Q99714 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
SCHEMBL10063117 0.91 ITK (0.61) ITKKDRTTKAURKBINCENP
SCHEMBL10063134 0.88 TTK (0.64) ITKTTKAURKBINCENPALK
SCHEMBL15850171 0.88 ITK (0.67) ITKTTKAURKBINCENPAURKA
SCHEMBL10063137 0.84 ITK (0.58) ITKTTKAURKBINCENPAURKA
SCHEMBL10063146 0.83 ALK (0.55) ITKKDRTTKAURKBINCENP
SCHEMBL10063193 0.82 ITK (0.62) ITKTTKAURKBINCENPAURKA
SCHEMBL4778013 0.81 KDR (0.49) KDR
SCHEMBL10063192 0.80 ALK (0.58) ITKKDRTTKAURKBINCENP
SCHEMBL10063153 0.80 ITK (0.57) ITKKDRTTKAURKBINCENP
SCHEMBL10063123 0.80 ITK (0.55) 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 393/4885KDR 1519/4885TTK 242/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ITK 393/4885KDR 1519/4885TTK 242/4885

“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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