SCHEMBL10063134

SCHEMBL10063134

COc1cccc(NC(=O)c2cc(-c3ccncc3)c[nH]c2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.64
▸ AURKB Q96GD4 1/20 0.59
▸ INCENP Q9NQS7 1/20 0.59
▸ ITK Q08881 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ ALK Q9UM73 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ GRM4 Q14833 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ TRPV1 Q8NER1 1/20 0.50
▸ RAF1 P04049 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL10063132 0.88 ITK (0.54) TTKAURKBINCENPITKALDH1A1
SCHEMBL10063120 0.88 ITK (0.64) TTKAURKBINCENPITKALK
SCHEMBL10063193 0.85 ITK (0.62) TTKAURKBINCENPITKALDH1A1
SCHEMBL15850171 0.84 ITK (0.67) TTKAURKBINCENPITKALDH1A1
SCHEMBL10063131 0.83 ITK (0.59) TTKAURKBINCENPITKALDH1A1
SCHEMBL10063192 0.83 ALK (0.58) TTKAURKBINCENPITKALK
SCHEMBL10063153 0.83 ITK (0.57) TTKAURKBINCENPITKALK
SCHEMBL10063123 0.83 ITK (0.55) TTKAURKBINCENPITKALK
SCHEMBL10063127 0.82 ITK (0.54) TTKAURKBINCENPITKALK
SCHEMBL11888256 0.82 ITK (0.54) TTKAURKBINCENPITKALK

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 TTK 242/4885AURKB 167/4885INCENP 1903/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 TTK 242/4885AURKB 167/4885INCENP 1903/4885

“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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